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

Systemtic Name: 3-[2-butyl-1-[cyclohexylcarbamoyl(pentyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-1-[cyclohexylcarbamoyl(pentyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-1-[[(cyclohexylamino)-oxomethyl]-pentylamino]-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-1-[cyclohexylcarbamoyl(pentyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[1-[amyl(cyclohexylcarbamoyl)amino]-2-butyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C37H47N4O3+ MolecularWeight: 595.79408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(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

CCCCCN(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/C37H46N4O3/c1-4-6-16-26-40(37(44)38-29-19-12-9-13-20-29)41(33-22-15-14-21-31(33)39-34(41)23-7-5-2)32-25-24-30(28-17-10-8-11-18-28)35(27(32)3)36(42)43/h8,10-11,14-15,17-18,21-22,24-25,29H,4-7,9,12-13,16,19-20,23,26H2,1-3H3,(H-,38,42,43,44)/p+1