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

Systemtic Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(2-thienylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-(2-thenylidene)coumaran-6-olate Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CS4)/C3=O)[O-]

InChI

InChI=1S/C19H20N2O3S/c1-20-6-8-21(9-7-20)12-15-16(22)5-4-14-18(23)17(24-19(14)15)11-13-3-2-10-25-13/h2-5,10-11,22H,6-9,12H2,1H3/b17-11-