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

Systemtic Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-isopropylphenyl)methylene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-isopropylbenzylidene)-3-keto-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3/c1-16(2)18-6-4-17(5-7-18)14-22-23(28)19-8-9-21(27)20(24(19)29-22)15-26-12-10-25(3)11-13-26/h4-9,14,16,27H,10-13,15H2,1-3H3/b22-14-