4-[[3-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[3-(4-methylpiperazin-4-ium-1-carbonyl)anilino]-4-oxo-butanoate CAS Name: 4-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]anilino]-4-oxobutanoate IUPAC Name: 4-[3-(4-methylpiperazin-4-ium-1-carbonyl)anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[3-(4-methylpiperazin-4-ium-1-carbonyl)anilino]butyrate Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-18-7-9-19(10-8-18)16(23)12-3-2-4-13(11-12)17-14(20)5-6-15(21)22/h2-4,11H,5-10H2,1H3,(H,17,20)(H,21,22)