(4E)-1-(4-iodophenyl)-4-[(4-methylpiperazin-1-yl)-phenyl-methylidene]-2-oxidanylidene-pyrazolidin-2-ium-3-one

Systemtic Name: (4E)-1-(4-iodophenyl)-4-[(4-methylpiperazin-1-yl)-phenyl-methylidene]-2-oxidanylidene-pyrazolidin-2-ium-3-one Openeye Name: (4E)-1-(4-iodophenyl)-4-[(4-methylpiperazin-1-yl)-phenyl-methylene]-2-oxo-pyrazolidin-2-ium-3-one CAS Name: (4E)-1-(4-iodophenyl)-4-[(4-methyl-1-piperazinyl)-phenylmethylidene]-2-oxo-3-pyrazolidin-2-iumone IUPAC Name: (4E)-1-(4-iodophenyl)-4-[(4-methylpiperazin-1-yl)-phenylmethylidene]-2-oxopyrazolidin-2-ium-3-one Traditional Name: (4E)-1-(4-iodophenyl)-2-keto-4-[(4-methylpiperazino)-phenyl-methylene]pyrazolidin-2-ium-3-one Formula: C21H22IN4O2+ MolecularWeight: 489.32945

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=C2CN([N+](=O)C2=O)C3=CC=C(C=C3)I)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)/C(=C/2\CN([N+](=O)C2=O)C3=CC=C(C=C3)I)/C4=CC=CC=C4

InChI

InChI=1S/C21H22IN4O2/c1-23-11-13-24(14-12-23)20(16-5-3-2-4-6-16)19-15-25(26(28)21(19)27)18-9-7-17(22)8-10-18/h2-10H,11-15H2,1H3/q+1/b20-19+