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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-[(2R)-1-isobutyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-chlorobenzyl)-2-[(2R)-1-isobutyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C17H25ClN3O2+ MolecularWeight: 338.8523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCNC(=O)C1CC(=O)NCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)NCC2=CC(=CC=C2)Cl

InChI

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