2-(3-hexadecylbenzimidazol-1-ium-1-yl)-1-phenyl-ethanone

Systemtic Name: 2-(3-hexadecylbenzimidazol-1-ium-1-yl)-1-phenyl-ethanone Openeye Name: 2-(3-hexadecylbenzimidazol-1-ium-1-yl)-1-phenyl-ethanone CAS Name: 2-(3-hexadecyl-1-benzimidazol-1-iumyl)-1-phenylethanone IUPAC Name: 2-(3-hexadecylbenzimidazol-1-ium-1-yl)-1-phenylethanone Traditional Name: 2-(3-cetylbenzimidazol-1-ium-1-yl)-1-phenyl-ethanone Formula: C31H45N2O+ MolecularWeight: 461.7018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C31H45N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-32-27-33(30-24-19-18-23-29(30)32)26-31(34)28-21-16-15-17-22-28/h15-19,21-24,27H,2-14,20,25-26H2,1H3/q+1