2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-oxidanylidene-inden-1-olate

Systemtic Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-oxidanylidene-inden-1-olate Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-oxo-inden-1-olate CAS Name: 2-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-oxo-1-indenolate IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-oxoinden-1-olate Traditional Name: 3-keto-2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]inden-1-olate Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C3=C(C4=CC=CC=C4C3=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C3=C(C4=CC=CC=C4C3=O)[O-]

InChI

InChI=1S/C20H20N2O2/c1-21-10-12-22(13-11-21)15-8-6-14(7-9-15)18-19(23)16-4-2-3-5-17(16)20(18)24/h2-9,23H,10-13H2,1H3