1-cyclopentyl-1-phenylmethoxycarbonyl-2-piperidin-4-yl-benzimidazol-1-ium-5-carboxylic acid

Systemtic Name: 1-cyclopentyl-1-phenylmethoxycarbonyl-2-piperidin-4-yl-benzimidazol-1-ium-5-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-1-cyclopentyl-2-(4-piperidyl)benzimidazol-1-ium-5-carboxylic acid CAS Name: 1-cyclopentyl-1-phenylmethoxycarbonyl-2-(4-piperidinyl)-5-benzimidazol-1-iumcarboxylic acid IUPAC Name: 1-cyclopentyl-1-phenylmethoxycarbonyl-2-piperidin-4-ylbenzimidazol-1-ium-5-carboxylic acid Traditional Name: 1-carbobenzoxy-1-cyclopentyl-2-(4-piperidyl)benzimidazol-1-ium-5-carboxylic acid Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[N+]2(C3=C(C=C(C=C3)C(=O)O)N=C2C4CCNCC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)[N+]2(C3=C(C=C(C=C3)C(=O)O)N=C2C4CCNCC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H29N3O4/c30-25(31)20-10-11-23-22(16-20)28-24(19-12-14-27-15-13-19)29(23,21-8-4-5-9-21)26(32)33-17-18-6-2-1-3-7-18/h1-3,6-7,10-11,16,19,21,27H,4-5,8-9,12-15,17H2/p+1