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

Systemtic Name: 2-[4-[[1-methyl-4-(piperidin-1-ylcarbonylamino)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-methyl-4-(piperidine-1-carbonylamino)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-methyl-4-[[oxo(1-piperidinyl)methyl]amino]-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-methyl-4-(piperidine-1-carbonylamino)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-methyl-4-(piperidine-1-carbonylamino)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C31H35N4O3+ MolecularWeight: 511.6346

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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)N5CCCCC5

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NC(=O)N5CCCCC5

InChI

InChI=1S/C31H34N4O3/c1-3-10-28-33-29-26(32-31(38)34-19-7-4-8-20-34)13-9-14-27(29)35(28,2)21-22-15-17-23(18-16-22)24-11-5-6-12-25(24)30(36)37/h5-6,9,11-18H,3-4,7-8,10,19-21H2,1-2H3,(H-,32,36,37,38)/p+1