(2S)-N-(3-aminophenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-aminophenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-aminophenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3-aminophenyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-aminophenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-aminophenyl)-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C13H19N4O2+ MolecularWeight: 263.31556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2/c1-9(17-6-5-15-12(18)8-17)13(19)16-11-4-2-3-10(14)7-11/h2-4,7,9H,5-6,8,14H2,1H3,(H,15,18)(H,16,19)/p+1/t9-/m0/s1