methyl 1-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H21N3O5/c1-11(18-9-7-12(8-10-18)16(21)24-2)15(20)17-13-5-3-4-6-14(13)19(22)23/h3-6,11-12H,7-10H2,1-2H3,(H,17,20)/p+1/t11-/m1/s1