methyl (3S)-3-(4-methylpiperidin-1-ium-1-yl)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-3-(4-methylpiperidin-1-ium-1-yl)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-3-(4-methylpiperidin-1-ium-1-yl)-4-(4-nitroanilino)-4-oxo-butanoate CAS Name: (3S)-3-(4-methyl-1-piperidin-1-iumyl)-4-(4-nitroanilino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-methylpiperidin-1-ium-1-yl)-4-(4-nitroanilino)-4-oxobutanoate Traditional Name: (3S)-4-keto-3-(4-methylpiperidin-1-ium-1-yl)-4-(4-nitroanilino)butyric acid methyl ester Formula: C17H24N3O5+ MolecularWeight: 350.38956

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CC(=O)OC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CC(=O)OC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5/c1-12-7-9-19(10-8-12)15(11-16(21)25-2)17(22)18-13-3-5-14(6-4-13)20(23)24/h3-6,12,15H,7-11H2,1-2H3,(H,18,22)/p+1/t15-/m0/s1