ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1-ethanoylpiperidin-4-yl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1-ethanoylpiperidin-4-yl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(1-acetyl-4-piperidyl)-3-[(3-chlorophenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(1-acetyl-4-piperidinyl)-3-[(3-chlorophenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1-acetylpiperidin-4-yl)-3-[(3-chlorophenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(1-acetyl-4-piperidyl)-3-(3-chlorobenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H32ClN2O3+ MolecularWeight: 407.95408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C2CCN(CC2)C(=O)C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C2CCN(CC2)C(=O)C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H31ClN2O3/c1-3-28-21(27)22(15-18-6-4-7-19(23)14-18)10-5-11-25(16-22)20-8-12-24(13-9-20)17(2)26/h4,6-7,14,20H,3,5,8-13,15-16H2,1-2H3/p+1/t22-/m0/s1