(2R)-N-(2-chloranyl-5-nitro-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-nitro-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C13H16ClN4O4+ MolecularWeight: 327.74354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4O4/c1-8(17-5-4-15-12(19)7-17)13(20)16-11-6-9(18(21)22)2-3-10(11)14/h2-3,6,8H,4-5,7H2,1H3,(H,15,19)(H,16,20)/p+1/t8-/m1/s1