(3R)-1-[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]piperidin-1-ium-3-carboxamide Formula: C15H21N4O4+ MolecularWeight: 321.35164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4/c1-10(18-8-4-5-11(9-18)14(16)20)15(21)17-12-6-2-3-7-13(12)19(22)23/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,16,20)(H,17,21)/p+1/t10-,11+/m0/s1