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

Systemtic Name: (2Z)-2-[(3-methylphenyl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-(m-tolylmethylene)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(3-methylphenyl)methylidene]-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(3-methylphenyl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-(3-methylbenzylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCN(CC4)C

Isomeric SMILES

CC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCN(CC4)C

InChI

InChI=1S/C22H24N2O3/c1-15-4-3-5-16(12-15)13-20-21(26)17-6-7-19(25)18(22(17)27-20)14-24-10-8-23(2)9-11-24/h3-7,12-13,25H,8-11,14H2,1-2H3/b20-13-