methyl (3R)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-3-piperidin-1-ium-1-yl-butanoate

Systemtic Name: methyl (3R)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-3-piperidin-1-ium-1-yl-butanoate Openeye Name: methyl (3R)-4-(4-nitroanilino)-4-oxo-3-piperidin-1-ium-1-yl-butanoate CAS Name: (3R)-4-(4-nitroanilino)-4-oxo-3-(1-piperidin-1-iumyl)butanoic acid methyl ester IUPAC Name: methyl (3R)-4-(4-nitroanilino)-4-oxo-3-piperidin-1-ium-1-ylbutanoate Traditional Name: (3R)-4-keto-4-(4-nitroanilino)-3-piperidin-1-ium-1-yl-butyric acid methyl ester Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

COC(=O)C[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C16H21N3O5/c1-24-15(20)11-14(18-9-3-2-4-10-18)16(21)17-12-5-7-13(8-6-12)19(22)23/h5-8,14H,2-4,9-11H2,1H3,(H,17,21)/p+1/t14-/m1/s1