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

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-2-(3-morpholin-4-ium-4-ylpropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-cyanoanilino)-2-[3-(4-morpholin-4-iumyl)propylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-cyanoanilino)-4-keto-2-(3-morpholin-4-ium-4-ylpropylammonio)butyrate Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]C(CC(=O)NC2=CC=CC=C2C#N)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+][C@H](CC(=O)NC2=CC=CC=C2C#N)C(=O)[O-]

InChI

InChI=1S/C18H24N4O4/c19-13-14-4-1-2-5-15(14)21-17(23)12-16(18(24)25)20-6-3-7-22-8-10-26-11-9-22/h1-2,4-5,16,20H,3,6-12H2,(H,21,23)(H,24,25)/p+1/t16-/m1/s1