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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=CC3=CN(C4=CC=CC=C43)CC)C2=O)O

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1O/C(=C/C3=CN(C4=CC=CC=C43)CC)/C2=O)O

InChI

InChI=1S/C28H34N2O3/c1-4-7-15-29(16-8-5-2)19-23-25(31)14-13-22-27(32)26(33-28(22)23)17-20-18-30(6-3)24-12-10-9-11-21(20)24/h9-14,17-18,31H,4-8,15-16,19H2,1-3H3/p+1/b26-17+