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

Systemtic Name: (2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-2-(2-thienylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(2-thenylidene)coumaran-6-olate Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CS4)/C3=O)[O-]

InChI

InChI=1S/C20H21NO3S/c1-13-6-8-21(9-7-13)12-16-17(22)5-4-15-19(23)18(24-20(15)16)11-14-3-2-10-25-14/h2-5,10-11,13,22H,6-9,12H2,1H3/b18-11-