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

Systemtic Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-[(3-methyl-2-thienyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-[(3-methyl-2-thiophenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-[(3-methyl-2-thienyl)methylene]coumaran-6-olate Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCN(CC4)C

Isomeric SMILES

CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCN(CC4)C

InChI

InChI=1S/C20H22N2O3S/c1-13-5-10-26-18(13)11-17-19(24)14-3-4-16(23)15(20(14)25-17)12-22-8-6-21(2)7-9-22/h3-5,10-11,23H,6-9,12H2,1-2H3/b17-11-