ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylmethyl)-4-[(2-chlorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylmethyl)-4-(2-chlorobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H26ClN3O2/c1-2-29-22(28)23(15-17-7-3-4-8-18(17)24)11-13-27(14-12-23)16-21-25-19-9-5-6-10-20(19)26-21/h3-10H,2,11-16H2,1H3,(H,25,26)/p+1