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

Systemtic Name: (2R)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-morpholin-4-ium-4-ylpropylammonio)-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-[3-(4-morpholin-4-iumyl)propylammonio]-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(3-morpholin-4-ium-4-ylpropylammonio)-4-(3-nitroanilino)butyrate Formula: C17H25N4O6+ MolecularWeight: 381.4036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O6/c22-16(19-13-3-1-4-14(11-13)21(25)26)12-15(17(23)24)18-5-2-6-20-7-9-27-10-8-20/h1,3-4,11,15,18H,2,5-10,12H2,(H,19,22)(H,23,24)/p+1/t15-/m1/s1