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

Systemtic Name: (2R)-N-(2-cyanophenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-cyanophenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2-cyanophenyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2-cyanophenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2-cyanophenyl)-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C14H17N4O2+ MolecularWeight: 273.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+]2CCNC(=O)C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C14H16N4O2/c1-10(18-7-6-16-13(19)9-18)14(20)17-12-5-3-2-4-11(12)8-15/h2-5,10H,6-7,9H2,1H3,(H,16,19)(H,17,20)/p+1/t10-/m1/s1