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

Systemtic Name: (2Z)-2-[(1-ethylindol-3-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(1-ethyl-3-indolyl)methylidene]-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(1-ethylindol-3-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-3-keto-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+]5CCN(CC5)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+]5CCN(CC5)C

InChI

InChI=1S/C25H27N3O3/c1-3-28-15-17(18-6-4-5-7-21(18)28)14-23-24(30)19-8-9-22(29)20(25(19)31-23)16-27-12-10-26(2)11-13-27/h4-9,14-15,29H,3,10-13,16H2,1-2H3/b23-14-