[(2E)-2-[(1-ethylindol-3-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium

Systemtic Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-diisobutyl-ammonium CAS Name: [(2E)-2-[(1-ethyl-3-indolyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-3-keto-coumaran-7-yl]methyl-diisobutyl-ammonium Formula: C28H35N2O3+ MolecularWeight: 447.5891

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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+](CC(C)C)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3/c1-6-30-16-20(21-9-7-8-10-24(21)30)13-26-27(32)22-11-12-25(31)23(28(22)33-26)17-29(14-18(2)3)15-19(4)5/h7-13,16,18-19,31H,6,14-15,17H2,1-5H3/p+1/b26-13+