4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium

C103H134N6+6 — CID 158931998

About 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium

4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium (PubChem CID 158931998) has the molecular formula C103H134N6+6 and a molecular weight of 1472.34 g/mol. Its IUPAC name is 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium
• PubChem CID: 158931998
• Molecular Formula: C103H134N6+6
• Molecular Weight: 1472.34 g/mol
• Exact Mass: 1471.16
• IUPAC Name: 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium
• SMILES: Cc1cc(C)c(C)c(-c2cc(C)c(C)c[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc(C)c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cccc[n+]2C)c1.Cc1ccc(-c2cc(C)c(C)cc2C)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])C(C)(C)C)c(C([2H])([2H])[2H])c[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])C(C)C)c(C([2H])([2H])[2H])c[n+]2C)c(C)c1
• InChI: InChI=1S/C20H28N.C19H26N.C17H22N.2C16H20N.C15H18N/c1-14-8-9-18(15(2)10-14)19-11-17(12-20(4,5)6)16(3)13-21(19)7;1-13(2)9-17-11-19(20(6)12-16(17)5)18-8-7-14(3)10-15(18)4;1-11-7-13(3)15(5)16(8-11)17-9-12(2)14(4)10-18(17)6;1-11-6-7-16(17(5)10-11)15-9-13(3)12(2)8-14(15)4;1-11-6-7-16(17(5)10-11)15-9-12(2)8-13(3)14(15)4;1-11-9-12(2)13(3)14(10-11)15-7-5-6-8-16(15)4/h8-11,13H,12H2,1-7H3;7-8,10-13H,9H2,1-6H3;7-10H,1-6H3;2*6-10H,1-5H3;5-10H,1-4H3/q6*+1/i1D3,3D3,12D2;3D3,5D3,9D2
• InChIKey: GKDWRIIMIVPSKS-SXVVCVOLSA-N
• XLogP: 22.64
• TPSA: 23.28 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1472.34
LogP ≤ 5	22.64
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 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium?

The IUPAC name of 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium (CID 158931998) is 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium.

What is the SMILES notation for 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium?

The canonical SMILES for 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium is Cc1cc(C)c(C)c(-c2cc(C)c(C)c[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc(C)c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cccc[n+]2C)c1.Cc1ccc(-c2cc(C)c(C)cc2C)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])C(C)(C)C)c(C([2H])([2H])[2H])c[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])C(C)C)c(C([2H])([2H])[2H])c[n+]2C)c(C)c1.

What is the InChIKey of 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium?

The InChIKey is GKDWRIIMIVPSKS-SXVVCVOLSA-N. The full InChI is InChI=1S/C20H28N.C19H26N.C17H22N.2C16H20N.C15H18N/c1-14-8-9-18(15(2)10-14)19-11-17(12-20(4,5)6)16(3)13-21(19)7;1-13(2)9-17-11-19(20(6)12-16(17)5)18-8-7-14(3)10-15(18)4;1-11-7-13(3)15(5)16(8-11)17-9-12(2)14(4)10-18(17)6;1-11-6-7-16(17(5)10-11)15-9-13(3)12(2)8-14(15)4;1-11-6-7-16(17(5)10-11)15-9-12(2)8-13(3)14(15)4;1-11-9-12(2)13(3)14(10-11)15-7-5-6-8-16(15)4/h8-11,13H,12H2,1-7H3;7-8,10-13H,9H2,1-6H3;7-10H,1-6H3;2*6-10H,1-5H3;5-10H,1-4H3/q6*+1/i1D3,3D3,12D2;3D3,5D3,9D2;;;;.

What are the key properties of 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium?

4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium has a molecular weight of 1472.34 g/mol, XLogP of 22.64, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium is sourced from PubChem (CID 158931998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).