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

Systemtic Name: (2Z)-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-[(3-methyl-2-thienyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-2-[(3-methyl-2-thiophenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-[(3-methyl-2-thienyl)methylene]coumaran-6-olate Formula: C21H23NO3S MolecularWeight: 369.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=C(C=CS4)C)C3=O)[O-]

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=C(C=CS4)C)/C3=O)[O-]

InChI

InChI=1S/C21H23NO3S/c1-13-4-3-8-22(11-13)12-16-17(23)6-5-15-20(24)18(25-21(15)16)10-19-14(2)7-9-26-19/h5-7,9-10,13,23H,3-4,8,11-12H2,1-2H3/b18-10-/t13-/m1/s1