[1-(phenylmethyl)piperidin-1-ium-1-yl]carbonyl 1H-benzimidazole-2-carboxylate

Systemtic Name: [1-(phenylmethyl)piperidin-1-ium-1-yl]carbonyl 1H-benzimidazole-2-carboxylate Openeye Name: (1-benzylpiperidin-1-ium-1-carbonyl) 1H-benzimidazole-2-carboxylate CAS Name: 1H-benzimidazole-2-carboxylic acid [oxo-[1-(phenylmethyl)-1-piperidin-1-iumyl]methyl] ester IUPAC Name: (1-benzylpiperidin-1-ium-1-carbonyl) 1H-benzimidazole-2-carboxylate Traditional Name: 1H-benzimidazole-2-carboxylic acid (1-benzylpiperidin-1-ium-1-carbonyl) ester Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC=CC=C2)C(=O)OC(=O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC=CC=C2)C(=O)OC(=O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N3O3/c25-20(19-22-17-11-5-6-12-18(17)23-19)27-21(26)24(13-7-2-8-14-24)15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2/p+1