3-[2-butyl-1-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-butyl-1-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-1-[[2-(cyclohexylamino)-2-oxo-ethyl]amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-1-[[2-(cyclohexylamino)-2-oxoethyl]amino]-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-1-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-1-[[2-(cyclohexylamino)-2-keto-ethyl]amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C33H39N4O3+ MolecularWeight: 539.68776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)NCC(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)NCC(=O)NC5CCCCC5

InChI

InChI=1S/C33H38N4O3/c1-3-4-19-30-36-27-17-11-12-18-29(27)37(30,34-22-31(38)35-25-15-9-6-10-16-25)28-21-20-26(24-13-7-5-8-14-24)32(23(28)2)33(39)40/h5,7-8,11-14,17-18,20-21,25,34H,3-4,6,9-10,15-16,19,22H2,1-2H3,(H-,35,38,39,40)/p+1