2-[4-[[2-butyl-1-[ethanoyl(octyl)amino]benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[2-butyl-1-[ethanoyl(octyl)amino]benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[1-[acetyl(octyl)amino]-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[1-[acetyl(octyl)amino]-2-butyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[1-[acetyl(octyl)amino]-2-butylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[1-[acetyl(octyl)amino]-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C35H43N3O3 MolecularWeight: 553.73422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(=O)C)[N+]1(C2=CC=CC=C2N=C1CCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

CCCCCCCCN(C(=O)C)[N+]1(C2=CC=CC=C2N=C1CCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C35H43N3O3/c1-4-6-8-9-10-15-25-37(27(3)39)38(33-19-14-13-18-32(33)36-34(38)20-7-5-2)26-28-21-23-29(24-22-28)30-16-11-12-17-31(30)35(40)41/h11-14,16-19,21-24H,4-10,15,20,25-26H2,1-3H3