butyl-[[2-[(4-methoxyphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]-methyl-azanium

Systemtic Name: butyl-[[2-[(4-methoxyphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]-methyl-azanium Openeye Name: butyl-[[6-hydroxy-2-[(4-methoxyphenyl)methylene]-3-oxo-benzofuran-7-yl]methyl]-methyl-ammonium CAS Name: butyl-[[6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]-methylammonium IUPAC Name: butyl-[[6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]-methylazanium Traditional Name: butyl-[(6-hydroxy-3-keto-2-p-anisylidene-coumaran-7-yl)methyl]-methyl-ammonium Formula: C22H26NO4+ MolecularWeight: 368.44614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)OC)C2=O)O

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)OC)C2=O)O

InChI

InChI=1S/C22H25NO4/c1-4-5-12-23(2)14-18-19(24)11-10-17-21(25)20(27-22(17)18)13-15-6-8-16(26-3)9-7-15/h6-11,13,24H,4-5,12,14H2,1-3H3/p+1