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

Systemtic Name: (2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2E)-2-[(1-ethyl-5-methoxy-3-indolyl)methylidene]-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2E)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-coumaran-6-olate Formula: C27H31N3O4 MolecularWeight: 461.55274

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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)CC)C3=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4/c1-4-28-10-12-29(13-11-28)17-22-24(31)9-7-20-26(32)25(34-27(20)22)14-18-16-30(5-2)23-8-6-19(33-3)15-21(18)23/h6-9,14-16,31H,4-5,10-13,17H2,1-3H3/b25-14+