ethyl 4-[(3S)-1-[2-(2-chlorophenyl)ethanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[2-(2-chlorophenyl)ethanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[2-(2-chlorophenyl)acetyl]-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[2-(2-chlorophenyl)-1-oxoethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[2-(2-chlorophenyl)acetyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-[2-(2-chlorophenyl)acetyl]-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H29ClN3O3+ MolecularWeight: 394.91556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H28ClN3O3/c1-2-27-20(26)23-12-10-22(11-13-23)17-7-5-9-24(15-17)19(25)14-16-6-3-4-8-18(16)21/h3-4,6,8,17H,2,5,7,9-15H2,1H3/p+1/t17-/m0/s1