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

Systemtic Name: ethyl 4-[(3S)-1-(3-chlorophenyl)carbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(3-chlorobenzoyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[(3-chlorophenyl)-oxomethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(3-chlorobenzoyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H27ClN3O3+ MolecularWeight: 380.88898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H26ClN3O3/c1-2-26-19(25)22-11-9-21(10-12-22)17-7-4-8-23(14-17)18(24)15-5-3-6-16(20)13-15/h3,5-6,13,17H,2,4,7-12,14H2,1H3/p+1/t17-/m0/s1