6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

C110H110N8+4 — CID 162142713

About 6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (PubChem CID 162142713) has the molecular formula C110H110N8+4 and a molecular weight of 1557.23 g/mol. Its IUPAC name is 6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.

Molecular Properties

• Compound Name: 6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
• PubChem CID: 162142713
• Molecular Formula: C110H110N8+4
• Molecular Weight: 1557.23 g/mol
• Exact Mass: 1555.96
• IUPAC Name: 6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
• SMILES: Cc1ccc(-c2c3c(c(C)c[n+]2C)c2c4ccccc4ccc2n3C)c(C)c1.Cc1ccccc1-c1c2c(cc[n+]1C)c1c3ccccc3ccc1n2C.[2H]C([2H])([2H])c1ccc(-c2c3c(c(C([2H])([2H])[2H])c[n+]2C)c2c4ccccc4ccc2n3C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2c3c(c(C([2H])([2H])[2H])c[n+]2C)c2cc4cc(C5([2H])CCC(C)(C)CC5)ccc4cc2n3C)c(C)c1
• InChI: InChI=1S/C34H39N2.2C26H25N2.C24H21N2/c1-21-8-11-28(22(2)16-21)32-33-31(23(3)20-35(32)6)29-18-27-17-25(24-12-14-34(4,5)15-13-24)9-10-26(27)19-30(29)36(33)7;2*1-16-10-12-20(17(2)14-16)25-26-23(18(3)15-27(25)4)24-21-9-7-6-8-19(21)11-13-22(24)28(26)5;1-16-8-4-6-10-18(16)23-24-20(14-15-25(23)2)22-19-11-7-5-9-17(19)12-13-21(22)26(24)3/h8-11,16-20,24H,12-15H2,1-7H3;2*6-15H,1-5H3;4-15H,1-3H3/q4*+1/i1D3,3D3,24D;1D3,3D3
• InChIKey: GZLVAEHPFRPJOZ-QKQHHLPYSA-N
• XLogP: 25.67
• TPSA: 35.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1557.23
LogP ≤ 5	25.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?

The IUPAC name of 6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (CID 162142713) is 6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.

What is the SMILES notation for 6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?

The canonical SMILES for 6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is Cc1ccc(-c2c3c(c(C)c[n+]2C)c2c4ccccc4ccc2n3C)c(C)c1.Cc1ccccc1-c1c2c(cc[n+]1C)c1c3ccccc3ccc1n2C.[2H]C([2H])([2H])c1ccc(-c2c3c(c(C([2H])([2H])[2H])c[n+]2C)c2c4ccccc4ccc2n3C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2c3c(c(C([2H])([2H])[2H])c[n+]2C)c2cc4cc(C5([2H])CCC(C)(C)CC5)ccc4cc2n3C)c(C)c1.

What is the InChIKey of 6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?

The InChIKey is GZLVAEHPFRPJOZ-QKQHHLPYSA-N. The full InChI is InChI=1S/C34H39N2.2C26H25N2.C24H21N2/c1-21-8-11-28(22(2)16-21)32-33-31(23(3)20-35(32)6)29-18-27-17-25(24-12-14-34(4,5)15-13-24)9-10-26(27)19-30(29)36(33)7;2*1-16-10-12-20(17(2)14-16)25-26-23(18(3)15-27(25)4)24-21-9-7-6-8-19(21)11-13-22(24)28(26)5;1-16-8-4-6-10-18(16)23-24-20(14-15-25(23)2)22-19-11-7-5-9-17(19)12-13-21(22)26(24)3/h8-11,16-20,24H,12-15H2,1-7H3;2*6-15H,1-5H3;4-15H,1-3H3/q4*+1/i1D3,3D3,24D;1D3,3D3;;.

What are the key properties of 6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?

6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene has a molecular weight of 1557.23 g/mol, XLogP of 25.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-deuterio-4,4-dimethylcyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;11,14-dimethyl-13-(2-methylphenyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;11,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-16-(trideuteriomethyl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-(2,4-dimethylphenyl)-11,14,16-trimethyl-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is sourced from PubChem (CID 162142713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).