(2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-methoxy-1-methyl-3-indolyl)methylidene]-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CN(C5=C4C=C(C=C5)OC)C)C3=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CN(C5=C4C=C(C=C5)OC)C)/C3=O)[O-]

InChI

InChI=1S/C25H27N3O4/c1-26-8-10-28(11-9-26)15-20-22(29)7-5-18-24(30)23(32-25(18)20)12-16-14-27(2)21-6-4-17(31-3)13-19(16)21/h4-7,12-14,29H,8-11,15H2,1-3H3/b23-12-