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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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