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

Systemtic Name: (2E)-2-[(1-ethylindol-3-yl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2E)-2-[(1-ethyl-3-indolyl)methylidene]-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2E)-2-[(1-ethylindol-3-yl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-coumaran-6-olate Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CN(C5=CC=CC=C54)CC)C3=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C/C4=CN(C5=CC=CC=C54)CC)/C3=O)[O-]

InChI

InChI=1S/C26H29N3O3/c1-3-27-11-13-28(14-12-27)17-21-23(30)10-9-20-25(31)24(32-26(20)21)15-18-16-29(4-2)22-8-6-5-7-19(18)22/h5-10,15-16,30H,3-4,11-14,17H2,1-2H3/b24-15+