(2Z)-7-(azepan-1-ium-1-ylmethyl)-4-methyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-4-methyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-4-methyl-3-oxo-2-(4-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-3-keto-4-methyl-2-(4-pyridylmethylene)coumaran-6-olate Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=NC=C3)O2)C[NH+]4CCCCCC4)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=NC=C3)/O2)C[NH+]4CCCCCC4)[O-]

InChI

InChI=1S/C22H24N2O3/c1-15-12-18(25)17(14-24-10-4-2-3-5-11-24)22-20(15)21(26)19(27-22)13-16-6-8-23-9-7-16/h6-9,12-13,25H,2-5,10-11,14H2,1H3/b19-13-