methyl (3S)-4-[(4-chloranyl-2-nitro-phenyl)amino]-4-oxidanylidene-3-piperidin-1-ium-1-yl-butanoate

Systemtic Name: methyl (3S)-4-[(4-chloranyl-2-nitro-phenyl)amino]-4-oxidanylidene-3-piperidin-1-ium-1-yl-butanoate Openeye Name: methyl (3S)-4-(4-chloro-2-nitro-anilino)-4-oxo-3-piperidin-1-ium-1-yl-butanoate CAS Name: (3S)-4-(4-chloro-2-nitroanilino)-4-oxo-3-(1-piperidin-1-iumyl)butanoic acid methyl ester IUPAC Name: methyl (3S)-4-(4-chloro-2-nitroanilino)-4-oxo-3-piperidin-1-ium-1-ylbutanoate Traditional Name: (3S)-4-(4-chloro-2-nitro-anilino)-4-keto-3-piperidin-1-ium-1-yl-butyric acid methyl ester Formula: C16H21ClN3O5+ MolecularWeight: 370.80804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O5/c1-25-15(21)10-14(19-7-3-2-4-8-19)16(22)18-12-6-5-11(17)9-13(12)20(23)24/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,18,22)/p+1/t14-/m0/s1