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

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O2/c1-2-26-20(25)21(15-17-6-8-18(22)9-7-17)10-13-24(14-11-21)16-19-5-3-4-12-23-19/h3-9,12H,2,10-11,13-16H2,1H3/p+1