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

Systemtic Name: (2R)-N-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-phenyl-propanamide Openeye Name: (2R)-N-methyl-2-(3-oxopiperazin-1-ium-1-yl)-N-phenyl-propanamide CAS Name: (2R)-N-methyl-2-(3-oxo-1-piperazin-1-iumyl)-N-phenylpropanamide IUPAC Name: (2R)-N-methyl-2-(3-oxopiperazin-1-ium-1-yl)-N-phenylpropanamide Traditional Name: (2R)-2-(3-ketopiperazin-1-ium-1-yl)-N-methyl-N-phenyl-propionamide Formula: C14H20N3O2+ MolecularWeight: 262.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2/c1-11(17-9-8-15-13(18)10-17)14(19)16(2)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,18)/p+1/t11-/m1/s1