2-[4-[[1-methyl-4-[(phenylmethyl)carbamoylamino]-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[1-methyl-4-[(phenylmethyl)carbamoylamino]-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(benzylcarbamoylamino)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-methyl-4-[[oxo-[(phenylmethyl)amino]methyl]amino]-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(benzylcarbamoylamino)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(benzylcarbamoylamino)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C33H33N4O3+ MolecularWeight: 533.64012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NC(=O)NCC5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C33H32N4O3/c1-3-10-30-36-31-28(35-33(40)34-21-23-11-5-4-6-12-23)15-9-16-29(31)37(30,2)22-24-17-19-25(20-18-24)26-13-7-8-14-27(26)32(38)39/h4-9,11-20H,3,10,21-22H2,1-2H3,(H2-,34,35,38,39,40)/p+1