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

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1-(4-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=NC=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NC=C2)CC3=CC=CC=C3Cl

InChI

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