(2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-4-(pyridin-3-ylamino)butanoate

Systemtic Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-4-(pyridin-3-ylamino)butanoate Openeye Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-4-(3-pyridylamino)butanoate CAS Name: (2R)-2-(4-methyl-1-piperazin-1-iumyl)-4-oxo-4-(3-pyridinylamino)butanoate IUPAC Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-4-(pyridin-3-ylamino)butanoate Traditional Name: (2R)-4-keto-2-(4-methylpiperazin-1-ium-1-yl)-4-(3-pyridylamino)butyrate Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C(CC(=O)NC2=CN=CC=C2)C(=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)[C@H](CC(=O)NC2=CN=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H20N4O3/c1-17-5-7-18(8-6-17)12(14(20)21)9-13(19)16-11-3-2-4-15-10-11/h2-4,10,12H,5-9H2,1H3,(H,16,19)(H,20,21)/t12-/m1/s1