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

Systemtic Name: (2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-2-(4-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(4-pyridylmethylene)coumaran-6-olate Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-14-6-10-23(11-7-14)13-17-18(24)3-2-16-20(25)19(26-21(16)17)12-15-4-8-22-9-5-15/h2-5,8-9,12,14,24H,6-7,10-11,13H2,1H3/b19-12-