(2S)-N-(2-methoxy-5-nitro-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-methoxy-5-nitro-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-methoxy-5-nitro-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-methoxy-5-nitrophenyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-methoxy-5-nitrophenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C14H19N4O5+ MolecularWeight: 323.32446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O5/c1-9(17-6-5-15-13(19)8-17)14(20)16-11-7-10(18(21)22)3-4-12(11)23-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,19)(H,16,20)/p+1/t9-/m0/s1