2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium

C92H88N8+8 — CID 158165222

About 2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium

2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium (PubChem CID 158165222) has the molecular formula C92H88N8+8 and a molecular weight of 1305.77 g/mol. Its IUPAC name is 2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium.

Molecular Properties

• Compound Name: 2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
• PubChem CID: 158165222
• Molecular Formula: C92H88N8+8
• Molecular Weight: 1305.77 g/mol
• Exact Mass: 1304.71
• IUPAC Name: 2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
• SMILES: Cc1cc2ccccc2cc1-c1cccc(-c2cccc[n+]2C)[n+]1C.Cc1ccc2ccccc2c1-c1cccc(-c2cccc[n+]2C)[n+]1C.Cc1ccccc1-c1cccc(-c2c3ccccc3cc[n+]2C)[n+]1C.Cc1ccccc1-c1cccc(-c2cc3ccccc3c[n+]2C)[n+]1C
• InChI: InChI=1S/4C23H22N2/c1-17-9-4-7-12-20(17)21-13-8-14-22(25(21)3)23-15-18-10-5-6-11-19(18)16-24(23)2;1-17-9-4-6-11-19(17)21-13-8-14-22(25(21)3)23-20-12-7-5-10-18(20)15-16-24(23)2;1-17-14-15-18-9-4-5-10-19(18)23(17)22-13-8-12-21(25(22)3)20-11-6-7-16-24(20)2;1-17-15-18-9-4-5-10-19(18)16-20(17)21-12-8-13-23(25(21)3)22-11-6-7-14-24(22)2/h4*4-16H,1-3H3/q4*+2
• InChIKey: HJVWNPRZTJBSKS-UHFFFAOYSA-N
• XLogP: 16.52
• TPSA: 31.04 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1305.77
LogP ≤ 5	16.52
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-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium?

The IUPAC name of 2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium (CID 158165222) is 2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium.

What is the SMILES notation for 2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium?

The canonical SMILES for 2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium is Cc1cc2ccccc2cc1-c1cccc(-c2cccc[n+]2C)[n+]1C.Cc1ccc2ccccc2c1-c1cccc(-c2cccc[n+]2C)[n+]1C.Cc1ccccc1-c1cccc(-c2c3ccccc3cc[n+]2C)[n+]1C.Cc1ccccc1-c1cccc(-c2cc3ccccc3c[n+]2C)[n+]1C.

What is the InChIKey of 2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium?

The InChIKey is HJVWNPRZTJBSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C23H22N2/c1-17-9-4-7-12-20(17)21-13-8-14-22(25(21)3)23-15-18-10-5-6-11-19(18)16-24(23)2;1-17-9-4-6-11-19(17)21-13-8-14-22(25(21)3)23-20-12-7-5-10-18(20)15-16-24(23)2;1-17-14-15-18-9-4-5-10-19(18)23(17)22-13-8-12-21(25(22)3)20-11-6-7-16-24(20)2;1-17-15-18-9-4-5-10-19(18)16-20(17)21-12-8-13-23(25(21)3)22-11-6-7-14-24(22)2/h4*4-16H,1-3H3/q4*+2.

What are the key properties of 2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium?

2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium has a molecular weight of 1305.77 g/mol, XLogP of 16.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium is sourced from PubChem (CID 158165222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).