8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

C124H124N8O4+4 — CID 158860932

About 8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (PubChem CID 158860932) has the molecular formula C124H124N8O4+4 and a molecular weight of 1790.41 g/mol. Its IUPAC name is 8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
• PubChem CID: 158860932
• Molecular Formula: C124H124N8O4+4
• Molecular Weight: 1790.41 g/mol
• Exact Mass: 1788.97
• IUPAC Name: 8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
• SMILES: CCC1(CC)c2ccccc2-c2cc3c(nc21)oc1c(-c2ccc(C)c[n+]2C)c(C)ccc13.Cc1ccc(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(C(C)C)C(C)C)[n+](C)c1.Cc1ccc(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(C)C)[n+](C)c1.Cc1ccc(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(CC(C)C)CC(C)C)[n+](C)c1
• InChI: InChI=1S/C34H37N2O.C32H33N2O.C30H29N2O.C28H25N2O/c1-20(2)17-34(18-21(3)4)28-11-9-8-10-24(28)26-16-27-25-14-13-23(6)30(29-15-12-22(5)19-36(29)7)31(25)37-33(27)35-32(26)34;1-18(2)32(19(3)4)26-11-9-8-10-22(26)24-16-25-23-14-13-21(6)28(27-15-12-20(5)17-34(27)7)29(23)35-31(25)33-30(24)32;1-6-30(7-2)24-11-9-8-10-20(24)22-16-23-21-14-13-19(4)26(25-15-12-18(3)17-32(25)5)27(21)33-29(23)31-28(22)30;1-16-10-13-23(30(5)15-16)24-17(2)11-12-19-21-14-20-18-8-6-7-9-22(18)28(3,4)26(20)29-27(21)31-25(19)24/h8-16,19-21H,17-18H2,1-7H3;8-19H,1-7H3;8-17H,6-7H2,1-5H3;6-15H,1-5H3/q4*+1
• InChIKey: IOEXGYDTHCHOBT-UHFFFAOYSA-N
• XLogP: 29.69
• TPSA: 119.64 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1790.41
LogP ≤ 5	29.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?

The IUPAC name of 8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (CID 158860932) is 8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.

What is the SMILES notation for 8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?

The canonical SMILES for 8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is CCC1(CC)c2ccccc2-c2cc3c(nc21)oc1c(-c2ccc(C)c[n+]2C)c(C)ccc13.Cc1ccc(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(C(C)C)C(C)C)[n+](C)c1.Cc1ccc(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(C)C)[n+](C)c1.Cc1ccc(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(CC(C)C)CC(C)C)[n+](C)c1.

What is the InChIKey of 8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?

The InChIKey is IOEXGYDTHCHOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N2O.C32H33N2O.C30H29N2O.C28H25N2O/c1-20(2)17-34(18-21(3)4)28-11-9-8-10-24(28)26-16-27-25-14-13-23(6)30(29-15-12-22(5)19-36(29)7)31(25)37-33(27)35-32(26)34;1-18(2)32(19(3)4)26-11-9-8-10-22(26)24-16-25-23-14-13-21(6)28(27-15-12-20(5)17-34(27)7)29(23)35-31(25)33-30(24)32;1-6-30(7-2)24-11-9-8-10-20(24)22-16-23-21-14-13-19(4)26(25-15-12-18(3)17-32(25)5)27(21)33-29(23)31-28(22)30;1-16-10-13-23(30(5)15-16)24-17(2)11-12-19-21-14-20-18-8-6-7-9-22(18)28(3,4)26(20)29-27(21)31-25(19)24/h8-16,19-21H,17-18H2,1-7H3;8-19H,1-7H3;8-17H,6-7H2,1-5H3;6-15H,1-5H3/q4*+1.

What are the key properties of 8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?

8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene has a molecular weight of 1790.41 g/mol, XLogP of 29.69, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is sourced from PubChem (CID 158860932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).