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

Systemtic Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-4-oxobutanoate IUPAC Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]butyrate Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3/c1-17-8-10-18(11-9-17)13-4-2-12(3-5-13)16-14(19)6-7-15(20)21/h2-5H,6-11H2,1H3,(H,16,19)(H,20,21)