2-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methylidene]propanedioate

Systemtic Name: 2-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methylidene]propanedioate Openeye Name: 2-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methylene]propanedioate CAS Name: 2-[[2-(4-methyl-1-piperazin-4-iumyl)phenyl]methylidene]propanedioate IUPAC Name: 2-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methylidene]propanedioate Traditional Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)benzylidene]malonate Formula: C15H17N2O4- MolecularWeight: 289.30648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2C=C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2C=C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H18N2O4/c1-16-6-8-17(9-7-16)13-5-3-2-4-11(13)10-12(14(18)19)15(20)21/h2-5,10H,6-9H2,1H3,(H,18,19)(H,20,21)/p-1