3-[2-butyl-1-[cyclohexylcarbamoyl(hexyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-butyl-1-[cyclohexylcarbamoyl(hexyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-1-[cyclohexylcarbamoyl(hexyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-1-[[(cyclohexylamino)-oxomethyl]-hexylamino]-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-1-[cyclohexylcarbamoyl(hexyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-1-[cyclohexylcarbamoyl(hexyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C38H49N4O3+ MolecularWeight: 609.82066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(=O)NC1CCCCC1)[N+]2(C3=CC=CC=C3N=C2CCCC)C4=C(C(=C(C=C4)C5=CC=CC=C5)C(=O)O)C

Isomeric SMILES

CCCCCCN(C(=O)NC1CCCCC1)[N+]2(C3=CC=CC=C3N=C2CCCC)C4=C(C(=C(C=C4)C5=CC=CC=C5)C(=O)O)C

InChI

InChI=1S/C38H48N4O3/c1-4-6-8-17-27-41(38(45)39-30-20-13-10-14-21-30)42(34-23-16-15-22-32(34)40-35(42)24-7-5-2)33-26-25-31(29-18-11-9-12-19-29)36(28(33)3)37(43)44/h9,11-12,15-16,18-19,22-23,25-26,30H,4-8,10,13-14,17,20-21,24,27H2,1-3H3,(H-,39,43,44,45)/p+1