(2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-piperazin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(1-piperazin-1-iumyl)butanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-piperazin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(2-cyanoanilino)-4-keto-2-piperazin-1-ium-1-yl-butyrate Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)C(CC(=O)NC2=CC=CC=C2C#N)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCN1)[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)/t13-/m1/s1