(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-4-methyl-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(2,3-dimethoxybenzylidene)-3-keto-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C24H28N2O5 MolecularWeight: 424.48952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=C(C(=CC=C3)OC)OC)O2)C[NH+]4CCN(CC4)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5/c1-15-12-18(27)17(14-26-10-8-25(2)9-11-26)24-21(15)22(28)20(31-24)13-16-6-5-7-19(29-3)23(16)30-4/h5-7,12-13,27H,8-11,14H2,1-4H3/b20-13-