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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CS3)O2)C[NH+]4CCN(CC4)C)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=CS3)/O2)C[NH+]4CCN(CC4)C)[O-]

InChI

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