(2S)-N-(3-azanyl-4-chloranyl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-azanyl-4-chloranyl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-amino-4-chloro-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3-amino-4-chlorophenyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-amino-4-chlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-amino-4-chloro-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C13H18ClN4O2+ MolecularWeight: 297.76062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN4O2/c1-8(18-5-4-16-12(19)7-18)13(20)17-9-2-3-10(14)11(15)6-9/h2-3,6,8H,4-5,7,15H2,1H3,(H,16,19)(H,17,20)/p+1/t8-/m0/s1