2-(1,4-dimethylpyridin-1-ium-2-yl)-1-hexadecyl-3-methyl-benzimidazol-3-ium

Systemtic Name: 2-(1,4-dimethylpyridin-1-ium-2-yl)-1-hexadecyl-3-methyl-benzimidazol-3-ium Openeye Name: 2-(1,4-dimethylpyridin-1-ium-2-yl)-1-hexadecyl-3-methyl-benzimidazol-3-ium CAS Name: 2-(1,4-dimethyl-2-pyridin-1-iumyl)-1-hexadecyl-3-methylbenzimidazol-3-ium IUPAC Name: 2-(1,4-dimethylpyridin-1-ium-2-yl)-1-hexadecyl-3-methylbenzimidazol-3-ium Traditional Name: 1-cetyl-2-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-benzimidazol-3-ium Formula: C31H49N3+2 MolecularWeight: 463.74086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=[N+](C=CC(=C3)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=[N+](C=CC(=C3)C)C)C

InChI

InChI=1S/C31H49N3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-34-29-22-19-18-21-28(29)33(4)31(34)30-26-27(2)23-25-32(30)3/h18-19,21-23,25-26H,5-17,20,24H2,1-4H3/q+2