2-(2-azanyl-3-hexadecyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(2-azanyl-3-hexadecyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(2-amino-3-hexadecyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(2-amino-3-hexadecyl-1-benzimidazol-1-iumyl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(2-amino-3-hexadecylbenzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(2-amino-3-cetyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Formula: C31H45N4O3+ MolecularWeight: 521.714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C31H44N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-33-28-18-15-16-19-29(28)34(31(33)32)25-30(36)26-20-22-27(23-21-26)35(37)38/h15-16,18-23,32H,2-14,17,24-25H2,1H3/p+1