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

Systemtic Name: (2R)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-phenyl-propanamide Openeye Name: (2R)-2-(3-oxopiperazin-1-ium-1-yl)-N-phenyl-propanamide CAS Name: (2R)-2-(3-oxo-1-piperazin-1-iumyl)-N-phenylpropanamide IUPAC Name: (2R)-2-(3-oxopiperazin-1-ium-1-yl)-N-phenylpropanamide Traditional Name: (2R)-2-(3-ketopiperazin-1-ium-1-yl)-N-phenyl-propionamide Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c1-10(16-8-7-14-12(17)9-16)13(18)15-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,17)(H,15,18)/p+1/t10-/m1/s1