1-hexyl-1-oxidanidyl-3-(1-phenylethenyl)-2H-benzimidazol-1-ium

Systemtic Name: 1-hexyl-1-oxidanidyl-3-(1-phenylethenyl)-2H-benzimidazol-1-ium Openeye Name: 1-hexyl-1-oxido-3-(1-phenylvinyl)-2H-benzimidazol-1-ium CAS Name: 1-hexyl-1-oxido-3-(1-phenylethenyl)-2H-benzimidazol-1-ium IUPAC Name: 1-hexyl-1-oxido-3-(1-phenylethenyl)-2H-benzimidazol-1-ium Traditional Name: 1-hexyl-1-oxido-3-(1-phenylvinyl)-2H-benzimidazol-1-ium Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CN(C2=CC=CC=C21)C(=C)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCCC[N+]1(CN(C2=CC=CC=C21)C(=C)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H26N2O/c1-3-4-5-11-16-23(24)17-22(20-14-9-10-15-21(20)23)18(2)19-12-7-6-8-13-19/h6-10,12-15H,2-5,11,16-17H2,1H3