(2R)-3-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-phenyl-butanamide

Systemtic Name: (2R)-3-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-phenyl-butanamide Openeye Name: (2R)-3-methyl-2-(3-oxopiperazin-1-ium-1-yl)-N-phenyl-butanamide CAS Name: (2R)-3-methyl-2-(3-oxo-1-piperazin-1-iumyl)-N-phenylbutanamide IUPAC Name: (2R)-3-methyl-2-(3-oxopiperazin-1-ium-1-yl)-N-phenylbutanamide Traditional Name: (2R)-2-(3-ketopiperazin-1-ium-1-yl)-3-methyl-N-phenyl-butyramide Formula: C15H22N3O2+ MolecularWeight: 276.35408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=C1)[NH+]2CCNC(=O)C2

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC=CC=C1)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H21N3O2/c1-11(2)14(18-9-8-16-13(19)10-18)15(20)17-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,16,19)(H,17,20)/p+1/t14-/m1/s1