ethyl 4-[(2-chlorophenyl)methyl]-1-(1-ethanoylpiperidin-4-yl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(1-ethanoylpiperidin-4-yl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1-acetyl-4-piperidyl)-4-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-(1-acetyl-4-piperidinyl)-4-[(2-chlorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-acetylpiperidin-4-yl)-4-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(1-acetyl-4-piperidyl)-4-(2-chlorobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H32ClN2O3+ MolecularWeight: 407.95408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCN(CC2)C(=O)C)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CCN(CC2)C(=O)C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H31ClN2O3/c1-3-28-21(27)22(16-18-6-4-5-7-20(18)23)10-14-25(15-11-22)19-8-12-24(13-9-19)17(2)26/h4-7,19H,3,8-16H2,1-2H3/p+1