2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium

C166H164N14+14 — CID 158709595

About 2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium

2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium (PubChem CID 158709595) has the molecular formula C166H164N14+14 and a molecular weight of 2355.24 g/mol. Its IUPAC name is 2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium.

Molecular Properties

• Compound Name: 2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium
• PubChem CID: 158709595
• Molecular Formula: C166H164N14+14
• Molecular Weight: 2355.24 g/mol
• Exact Mass: 2353.32
• IUPAC Name: 2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium
• SMILES: Cc1c(-c2cccc[n+]2C)cc2ccccc2c1-c1cccc[n+]1C.Cc1c(-c2cccc[n+]2C)cc2ccccc2c1-c1cccc[n+]1C.Cc1c(-c2cccc[n+]2C)cccc1-c1c2ccccc2cc(C)[n+]1C.Cc1c(-c2cccc[n+]2C)cccc1-c1c2ccccc2cc[n+]1C.Cc1c(-c2cccc[n+]2C)cccc1-c1c2ccccc2cc[n+]1C.Cc1cc(C)[n+](C)c(-c2c(C)c(-c3cccc[n+]3C)cc3ccccc23)c1.Cc1cc(C)[n+](C)c(-c2cccc(-c3c4ccccc4cc[n+]3C)c2C)c1
• InChI: InChI=1S/2C25H26N2.C24H24N2.4C23H22N2/c1-17-14-18(2)27(5)24(15-17)25-19(3)22(23-12-8-9-13-26(23)4)16-20-10-6-7-11-21(20)25;1-17-15-18(2)27(5)24(16-17)21-11-8-12-22(19(21)3)25-23-10-7-6-9-20(23)13-14-26(25)4;1-17-16-19-10-5-6-11-22(19)24(26(17)4)21-13-9-12-20(18(21)2)23-14-7-8-15-25(23)3;2*1-17-20(21-12-6-8-14-24(21)2)16-18-10-4-5-11-19(18)23(17)22-13-7-9-15-25(22)3;2*1-17-19(22-13-6-7-15-24(22)2)11-8-12-20(17)23-21-10-5-4-9-18(21)14-16-25(23)3/h2*6-16H,1-5H3;5-16H,1-4H3;4*4-16H,1-3H3/q7*+2
• InChIKey: RBXZGRYCWFOYMG-UHFFFAOYSA-N
• XLogP: 30.46
• TPSA: 54.32 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2355.24
LogP ≤ 5	30.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium?

The IUPAC name of 2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium (CID 158709595) is 2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium.

What is the SMILES notation for 2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium?

The canonical SMILES for 2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium is Cc1c(-c2cccc[n+]2C)cc2ccccc2c1-c1cccc[n+]1C.Cc1c(-c2cccc[n+]2C)cc2ccccc2c1-c1cccc[n+]1C.Cc1c(-c2cccc[n+]2C)cccc1-c1c2ccccc2cc(C)[n+]1C.Cc1c(-c2cccc[n+]2C)cccc1-c1c2ccccc2cc[n+]1C.Cc1c(-c2cccc[n+]2C)cccc1-c1c2ccccc2cc[n+]1C.Cc1cc(C)[n+](C)c(-c2c(C)c(-c3cccc[n+]3C)cc3ccccc23)c1.Cc1cc(C)[n+](C)c(-c2cccc(-c3c4ccccc4cc[n+]3C)c2C)c1.

What is the InChIKey of 2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium?

The InChIKey is RBXZGRYCWFOYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26N2.C24H24N2.4C23H22N2/c1-17-14-18(2)27(5)24(15-17)25-19(3)22(23-12-8-9-13-26(23)4)16-20-10-6-7-11-21(20)25;1-17-15-18(2)27(5)24(16-17)21-11-8-12-22(19(21)3)25-23-10-7-6-9-20(23)13-14-26(25)4;1-17-16-19-10-5-6-11-22(19)24(26(17)4)21-13-9-12-20(18(21)2)23-14-7-8-15-25(23)3;2*1-17-20(21-12-6-8-14-24(21)2)16-18-10-4-5-11-19(18)23(17)22-13-7-9-15-25(22)3;2*1-17-19(22-13-6-7-15-24(22)2)11-8-12-20(17)23-21-10-5-4-9-18(21)14-16-25(23)3/h2*6-16H,1-5H3;5-16H,1-4H3;4*4-16H,1-3H3/q7*+2.

What are the key properties of 2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium?

2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium has a molecular weight of 2355.24 g/mol, XLogP of 30.46, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;bis(1-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium);bis(2-methyl-1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium);2-methyl-1-[2-methyl-3-(1,4,6-trimethylpyridin-1-ium-2-yl)phenyl]isoquinolin-2-ium;1,2,4-trimethyl-6-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]pyridin-1-ium is sourced from PubChem (CID 158709595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).