1-hexadecyl-3-phenyl-benzimidazol-1-ium

Systemtic Name: 1-hexadecyl-3-phenyl-benzimidazol-1-ium Openeye Name: 1-hexadecyl-3-phenyl-benzimidazol-1-ium CAS Name: 1-hexadecyl-3-phenylbenzimidazol-1-ium IUPAC Name: 1-hexadecyl-3-phenylbenzimidazol-1-ium Traditional Name: 1-cetyl-3-phenyl-benzimidazol-1-ium Formula: C29H43N2+ MolecularWeight: 419.66512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CN(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CN(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C29H43N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-30-26-31(27-21-16-15-17-22-27)29-24-19-18-23-28(29)30/h15-19,21-24,26H,2-14,20,25H2,1H3/q+1