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

Systemtic Name: 5-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-5-oxopentanoate IUPAC Name: 5-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(4-methylpiperazin-4-ium-1-yl)anilino]valerate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-18-9-11-19(12-10-18)14-7-5-13(6-8-14)17-15(20)3-2-4-16(21)22/h5-8H,2-4,9-12H2,1H3,(H,17,20)(H,21,22)