2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-2-oxo-acetate CAS Name: 2-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-2-oxoacetate IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-2-oxoacetate Traditional Name: 2-keto-2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]acetate Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-15-6-8-16(9-7-15)11-4-2-10(3-5-11)14-12(17)13(18)19/h2-5H,6-9H2,1H3,(H,14,17)(H,18,19)