5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene

C140H125N10O5+5 — CID 157374434

About 5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene

5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene (PubChem CID 157374434) has the molecular formula C140H125N10O5+5 and a molecular weight of 2027.60 g/mol. Its IUPAC name is 5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene.

Molecular Properties

• Compound Name: 5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
• PubChem CID: 157374434
• Molecular Formula: C140H125N10O5+5
• Molecular Weight: 2027.60 g/mol
• Exact Mass: 2025.98
• IUPAC Name: 5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
• SMILES: Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2c4c(ccc23)-c2cccnc2C4(C)C)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2c4c(cnc23)C(C)(C)c2ccccc2-4)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2c4c(ncc23)C(C)(C)c2ccccc2-4)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2cc4c(cc23)C(C)(C)c2ncccc2-4)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4c(cc23)C(C)(C)c2ccccc2-4)c1
• InChI: InChI=1S/5C28H25N2O/c1-16-12-14-30(5)22(15-16)23-17(2)8-9-19-20-11-10-18-21-7-6-13-29-27(21)28(3,4)24(18)26(20)31-25(19)23;1-16-10-12-30(5)23(13-16)25-17(2)8-9-18-21-14-22-20(15-24(21)31-26(18)25)19-7-6-11-29-27(19)28(22,3)4;1-16-12-13-30(5)23(14-16)24-17(2)10-11-18-20-15-22-25(29-27(20)31-26(18)24)19-8-6-7-9-21(19)28(22,3)4;1-16-12-13-30(5)22(14-16)23-17(2)10-11-18-20-15-29-27-24(26(20)31-25(18)23)19-8-6-7-9-21(19)28(27,3)4;1-16-12-13-30(5)22(14-16)23-17(2)10-11-19-25-27(31-26(19)23)24-18-8-6-7-9-20(18)28(3,4)21(24)15-29-25/h5*6-15H,1-5H3/q5*+1
• InChIKey: RNVLQKVSDOODOD-UHFFFAOYSA-N
• XLogP: 31.98
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2027.60
LogP ≤ 5	31.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?

The IUPAC name of 5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene (CID 157374434) is 5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene.

What is the SMILES notation for 5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?

The canonical SMILES for 5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene is Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2c4c(ccc23)-c2cccnc2C4(C)C)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2c4c(cnc23)C(C)(C)c2ccccc2-4)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2c4c(ncc23)C(C)(C)c2ccccc2-4)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2cc4c(cc23)C(C)(C)c2ncccc2-4)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4c(cc23)C(C)(C)c2ccccc2-4)c1.

What is the InChIKey of 5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?

The InChIKey is RNVLQKVSDOODOD-UHFFFAOYSA-N. The full InChI is InChI=1S/5C28H25N2O/c1-16-12-14-30(5)22(15-16)23-17(2)8-9-19-20-11-10-18-21-7-6-13-29-27(21)28(3,4)24(18)26(20)31-25(19)23;1-16-10-12-30(5)23(13-16)25-17(2)8-9-18-21-14-22-20(15-24(21)31-26(18)25)19-7-6-11-29-27(19)28(22,3)4;1-16-12-13-30(5)23(14-16)24-17(2)10-11-18-20-15-22-25(29-27(20)31-26(18)24)19-8-6-7-9-21(19)28(22,3)4;1-16-12-13-30(5)22(14-16)23-17(2)10-11-18-20-15-29-27-24(26(20)31-25(18)23)19-8-6-7-9-21(19)28(27,3)4;1-16-12-13-30(5)22(14-16)23-17(2)10-11-19-25-27(31-26(19)23)24-18-8-6-7-9-20(18)28(3,4)21(24)15-29-25/h5*6-15H,1-5H3/q5*+1.

What are the key properties of 5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?

5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene has a molecular weight of 2027.60 g/mol, XLogP of 31.98, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-(1,4-dimethylpyridin-1-ium-2-yl)-10,10,17-trimethyl-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene is sourced from PubChem (CID 157374434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).