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

Systemtic Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-methoxyphenyl)methylene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-p-anisylidene-coumaran-6-olate Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-15-12-19(26)18(14-25-10-8-24(2)9-11-25)23-21(15)22(27)20(29-23)13-16-4-6-17(28-3)7-5-16/h4-7,12-13,26H,8-11,14H2,1-3H3/b20-13-