4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

C236H229N33O6+10 — CID 157124253

About 4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 157124253) has the molecular formula C236H229N33O6+10 and a molecular weight of 3623.65 g/mol. Its IUPAC name is 4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

• Compound Name: 4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
• PubChem CID: 157124253
• Molecular Formula: C236H229N33O6+10
• Molecular Weight: 3623.65 g/mol
• Exact Mass: 3620.86
• IUPAC Name: 4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
• SMILES: Cc1c(Oc2ccc3c4cccc(C(C)C)c4n(-c4nccc[n+]4C)c3c2C)cnc2c3c(C(C)C)cccc3n3c4ccccc4[n+](C)c3c12.Cc1c(Oc2ccc3c4ccccc4n(-c4cccc[n+]4C)c3c2C)cnc2c3c(C(C)C)cccc3n3c4ccccc4[n+](C)c3c12.Cc1c(Oc2ccc3c4cccnc4n(-c4c(C(C)C)ccc[n+]4C)c3c2C)cnc2c3c(C(C)C)cccc3n3c4ccccc4[n+](C)c3c12.Cc1c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)cccc1N1C=CN(C)[C@H]1C.Cc1c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)cncc1N1C=CN(C)[C@H]1C.Cc1nc(C)c(-c2cccc[n+]2C)c(C)c1Oc1cnc2c3c(C(C)C)cccc3n3c4ccccc4[n+](C)c3c2c1C
• InChI: InChI=1S/2C44H42N6O.C42H37N5O.C37H37N5O.C35H36N5O.C34H35N6O/c1-25(2)29-14-12-19-35-39(29)40-38(43-48(8)33-17-9-10-18-34(33)49(35)43)27(5)37(24-46-40)51-36-21-20-32-31-16-11-15-30(26(3)4)42(31)50(41(32)28(36)6)44-45-22-13-23-47(44)7;1-25(2)29-14-11-19-35-39(29)40-38(44-48(8)33-17-9-10-18-34(33)49(35)44)27(5)37(24-46-40)51-36-21-20-31-32-15-12-22-45-42(32)50(41(31)28(36)6)43-30(26(3)4)16-13-23-47(43)7;1-25(2)28-15-13-19-34-39(28)40-38(42-45(6)32-17-9-10-18-33(32)46(34)42)26(3)36(24-43-40)48-35-22-21-30-29-14-7-8-16-31(29)47(41(30)27(35)4)37-20-11-12-23-44(37)5;1-21(2)26-14-13-18-30-34(26)35-33(37-41(8)27-15-9-10-16-28(27)42(30)37)22(3)31(20-38-35)43-36-23(4)32(24(5)39-25(36)6)29-17-11-12-19-40(29)7;1-21(2)25-12-10-16-29-33(25)34-32(35-38(7)27-13-8-9-14-28(27)40(29)35)23(4)31(20-36-34)41-30-17-11-15-26(22(30)3)39-19-18-37(6)24(39)5;1-20(2)24-11-10-14-27-32(24)33-31(34-38(7)25-12-8-9-13-26(25)40(27)34)22(4)30(19-36-33)41-29-18-35-17-28(21(29)3)39-16-15-37(6)23(39)5/h2*9-26H,1-8H3;7-25H,1-6H3;9-21H,1-8H3;8-21,24H,1-7H3;8-20,23H,1-7H3/q4*+2;2*+1/t;;;;24-;23-/m....11/s1
• InChIKey: DLDVEHOPJFQUFN-OHPCVBEMSA-N
• XLogP: 50.74
• TPSA: 277.29 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3623.65
LogP ≤ 5	50.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?

The IUPAC name of 4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene (CID 157124253) is 4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene.

What is the SMILES notation for 4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?

The canonical SMILES for 4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene is Cc1c(Oc2ccc3c4cccc(C(C)C)c4n(-c4nccc[n+]4C)c3c2C)cnc2c3c(C(C)C)cccc3n3c4ccccc4[n+](C)c3c12.Cc1c(Oc2ccc3c4ccccc4n(-c4cccc[n+]4C)c3c2C)cnc2c3c(C(C)C)cccc3n3c4ccccc4[n+](C)c3c12.Cc1c(Oc2ccc3c4cccnc4n(-c4c(C(C)C)ccc[n+]4C)c3c2C)cnc2c3c(C(C)C)cccc3n3c4ccccc4[n+](C)c3c12.Cc1c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)cccc1N1C=CN(C)[C@H]1C.Cc1c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)cncc1N1C=CN(C)[C@H]1C.Cc1nc(C)c(-c2cccc[n+]2C)c(C)c1Oc1cnc2c3c(C(C)C)cccc3n3c4ccccc4[n+](C)c3c2c1C.

What is the InChIKey of 4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?

The InChIKey is DLDVEHOPJFQUFN-OHPCVBEMSA-N. The full InChI is InChI=1S/2C44H42N6O.C42H37N5O.C37H37N5O.C35H36N5O.C34H35N6O/c1-25(2)29-14-12-19-35-39(29)40-38(43-48(8)33-17-9-10-18-34(33)49(35)43)27(5)37(24-46-40)51-36-21-20-32-31-16-11-15-30(26(3)4)42(31)50(41(32)28(36)6)44-45-22-13-23-47(44)7;1-25(2)29-14-11-19-35-39(29)40-38(44-48(8)33-17-9-10-18-34(33)49(35)44)27(5)37(24-46-40)51-36-21-20-31-32-15-12-22-45-42(32)50(41(31)28(36)6)43-30(26(3)4)16-13-23-47(43)7;1-25(2)28-15-13-19-34-39(28)40-38(42-45(6)32-17-9-10-18-33(32)46(34)42)26(3)36(24-43-40)48-35-22-21-30-29-14-7-8-16-31(29)47(41(30)27(35)4)37-20-11-12-23-44(37)5;1-21(2)26-14-13-18-30-34(26)35-33(37-41(8)27-15-9-10-16-28(27)42(30)37)22(3)31(20-38-35)43-36-23(4)32(24(5)39-25(36)6)29-17-11-12-19-40(29)7;1-21(2)25-12-10-16-29-33(25)34-32(35-38(7)27-13-8-9-14-28(27)40(29)35)23(4)31(20-36-34)41-30-17-11-15-26(22(30)3)39-19-18-37(6)24(39)5;1-20(2)24-11-10-14-27-32(24)33-31(34-38(7)25-12-8-9-13-26(25)40(27)34)22(4)30(19-36-33)41-29-18-35-17-28(21(29)3)39-16-15-37(6)23(39)5/h2*9-26H,1-8H3;7-25H,1-6H3;9-21H,1-8H3;8-21,24H,1-7H3;8-20,23H,1-7H3/q4*+2;2*+1/t;;;;24-;23-/m....11/s1.

What are the key properties of 4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?

4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 3623.65 g/mol, XLogP of 50.74, 26 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[8-methyl-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-9-(1-methylpyrimidin-1-ium-2-yl)-8-propan-2-ylcarbazol-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 157124253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).