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

Systemtic Name: butyl-methyl-[[6-oxidanyl-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-7-yl]methyl]azanium Openeye Name: (2-benzylidene-6-hydroxy-3-oxo-benzofuran-7-yl)methyl-butyl-methyl-ammonium CAS Name: butyl-[[6-hydroxy-3-oxo-2-(phenylmethylene)-7-benzofuranyl]methyl]-methylammonium IUPAC Name: (2-benzylidene-6-hydroxy-3-oxo-1-benzofuran-7-yl)methyl-butyl-methylazanium Traditional Name: (2-benzal-6-hydroxy-3-keto-coumaran-7-yl)methyl-butyl-methyl-ammonium Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3/c1-3-4-12-22(2)14-17-18(23)11-10-16-20(24)19(25-21(16)17)13-15-8-6-5-7-9-15/h5-11,13,23H,3-4,12,14H2,1-2H3/p+1