N-[2-(3-chlorophenyl)ethyl]-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[2-(3-chlorophenyl)ethyl]-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[2-(3-chlorophenyl)ethyl]-2-[(2R)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(3-chlorophenyl)ethyl]-2-[(2R)-3-oxo-1-propan-2-yl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-[2-(3-chlorophenyl)ethyl]-2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C17H25ClN3O2+ MolecularWeight: 338.8523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)NCCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)NCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H24ClN3O2/c1-12(2)21-9-8-20-17(23)15(21)11-16(22)19-7-6-13-4-3-5-14(18)10-13/h3-5,10,12,15H,6-9,11H2,1-2H3,(H,19,22)(H,20,23)/p+1/t15-/m1/s1