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

Systemtic Name: butyl-methyl-[[6-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium Openeye Name: butyl-[[6-hydroxy-3-oxo-2-(2-thienylmethylene)benzofuran-7-yl]methyl]-methyl-ammonium CAS Name: butyl-[[6-hydroxy-3-oxo-2-(thiophen-2-ylmethylidene)-7-benzofuranyl]methyl]-methylammonium IUPAC Name: butyl-[[6-hydroxy-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl]-methylazanium Traditional Name: butyl-[[6-hydroxy-3-keto-2-(2-thenylidene)coumaran-7-yl]methyl]-methyl-ammonium Formula: C19H22NO3S+ MolecularWeight: 344.44788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=CC3=CC=CS3)C2=O)O

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=CC3=CC=CS3)C2=O)O

InChI

InChI=1S/C19H21NO3S/c1-3-4-9-20(2)12-15-16(21)8-7-14-18(22)17(23-19(14)15)11-13-6-5-10-24-13/h5-8,10-11,21H,3-4,9,12H2,1-2H3/p+1