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

Systemtic Name: (2E)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2E)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2E)-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-[(5-methoxy-1-methyl-3-indolyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2E)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2E)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]coumaran-6-olate Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CN(C5=C4C=C(C=C5)OC)C)C3=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C/C4=CN(C5=C4C=C(C=C5)OC)C)/C3=O)[O-]

InChI

InChI=1S/C26H29N3O4/c1-4-28-9-11-29(12-10-28)16-21-23(30)8-6-19-25(31)24(33-26(19)21)13-17-15-27(2)22-7-5-18(32-3)14-20(17)22/h5-8,13-15,30H,4,9-12,16H2,1-3H3/b24-13+