1-methyl-2-(4-methylpyridin-2-yl)-3-octyl-benzimidazol-1-ium

Systemtic Name: 1-methyl-2-(4-methylpyridin-2-yl)-3-octyl-benzimidazol-1-ium Openeye Name: 1-methyl-2-(4-methyl-2-pyridyl)-3-octyl-benzimidazol-1-ium CAS Name: 1-methyl-2-(4-methyl-2-pyridinyl)-3-octylbenzimidazol-1-ium IUPAC Name: 1-methyl-2-(4-methylpyridin-2-yl)-3-octylbenzimidazol-1-ium Traditional Name: 1-methyl-2-(4-methyl-2-pyridyl)-3-octyl-benzimidazol-1-ium Formula: C22H30N3+ MolecularWeight: 336.4937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=NC=CC(=C3)C)C

Isomeric SMILES

CCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=NC=CC(=C3)C)C

InChI

InChI=1S/C22H30N3/c1-4-5-6-7-8-11-16-25-21-13-10-9-12-20(21)24(3)22(25)19-17-18(2)14-15-23-19/h9-10,12-15,17H,4-8,11,16H2,1-3H3/q+1