2-heptadecyl-1-methyl-3-(phenylmethyl)benzimidazol-1-ium

Systemtic Name: 2-heptadecyl-1-methyl-3-(phenylmethyl)benzimidazol-1-ium Openeye Name: 1-benzyl-2-heptadecyl-3-methyl-benzimidazol-3-ium CAS Name: 2-heptadecyl-1-methyl-3-(phenylmethyl)benzimidazol-1-ium IUPAC Name: 1-benzyl-2-heptadecyl-3-methylbenzimidazol-3-ium Traditional Name: 1-benzyl-2-heptadecyl-3-methyl-benzimidazol-3-ium Formula: C32H49N2+ MolecularWeight: 461.74486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](C2=CC=CC=C2N1CC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](C2=CC=CC=C2N1CC3=CC=CC=C3)C

InChI

InChI=1S/C32H49N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-32-33(2)30-25-21-22-26-31(30)34(32)28-29-23-18-17-19-24-29/h17-19,21-26H,3-16,20,27-28H2,1-2H3/q+1