ethyl 4-[(3S)-3-(3-chlorophenyl)carbonylpiperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-(3-chlorophenyl)carbonylpiperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-[(3-chlorophenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C20H28ClN2O3+ MolecularWeight: 379.90092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H27ClN2O3/c1-2-26-20(25)22-11-8-18(9-12-22)23-10-4-6-16(14-23)19(24)15-5-3-7-17(21)13-15/h3,5,7,13,16,18H,2,4,6,8-12,14H2,1H3/p+1/t16-/m0/s1