(2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(4-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-(4-pyridylmethylene)coumaran-6-olate Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=NC=C4)/C3=O)[O-]

InChI

InChI=1S/C20H21N3O3/c1-22-8-10-23(11-9-22)13-16-17(24)3-2-15-19(25)18(26-20(15)16)12-14-4-6-21-7-5-14/h2-7,12,24H,8-11,13H2,1H3/b18-12-