5-[[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[2-(4-methylpiperazin-4-ium-1-carbonyl)anilino]-5-oxo-pentanoate CAS Name: 5-[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]anilino]-5-oxopentanoate IUPAC Name: 5-[2-(4-methylpiperazin-4-ium-1-carbonyl)anilino]-5-oxopentanoate Traditional Name: 5-keto-5-[2-(4-methylpiperazin-4-ium-1-carbonyl)anilino]valerate Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C17H23N3O4/c1-19-9-11-20(12-10-19)17(24)13-5-2-3-6-14(13)18-15(21)7-4-8-16(22)23/h2-3,5-6H,4,7-12H2,1H3,(H,18,21)(H,22,23)