(2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-piperazine-1,4-diium-1-yl-butanoate CAS Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(1-piperazine-1,4-diiumyl)butanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-piperazine-1,4-diium-1-ylbutanoate Traditional Name: (2R)-4-(2-cyanoanilino)-4-keto-2-piperazine-1,4-diium-1-yl-butyrate Formula: C15H19N4O3+ MolecularWeight: 303.33636

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)C(CC(=O)NC2=CC=CC=C2C#N)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)[C@H](CC(=O)NC2=CC=CC=C2C#N)C(=O)[O-]

InChI

InChI=1S/C15H18N4O3/c16-10-11-3-1-2-4-12(11)18-14(20)9-13(15(21)22)19-7-5-17-6-8-19/h1-4,13,17H,5-9H2,(H,18,20)(H,21,22)/p+1/t13-/m1/s1