(3R)-1-[(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C16H23N4O5+ MolecularWeight: 351.37762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5/c1-10(19-7-3-4-11(9-19)15(17)21)16(22)18-13-6-5-12(25-2)8-14(13)20(23)24/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H2,17,21)(H,18,22)/p+1/t10-,11+/m0/s1