(2R)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-morpholin-4-ium-4-ylethylammonio)-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(4-morpholin-4-iumyl)ethylammonio]-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(2-morpholin-4-ium-4-ylethylammonio)-4-(3-nitroanilino)butyrate Formula: C16H23N4O6+ MolecularWeight: 367.37702

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH2+]C(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC[NH2+][C@H](CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H22N4O6/c21-15(18-12-2-1-3-13(10-12)20(24)25)11-14(16(22)23)17-4-5-19-6-8-26-9-7-19/h1-3,10,14,17H,4-9,11H2,(H,18,21)(H,22,23)/p+1/t14-/m1/s1