[azanyl-(2-oxidanylideneoxolan-3-yl)sulfanyl-methylidene]-(4-methoxyphenyl)-methyl-azanium bromide

Systemtic Name: [azanyl-(2-oxidanylideneoxolan-3-yl)sulfanyl-methylidene]-(4-methoxyphenyl)-methyl-azanium bromide Openeye Name: [amino-(2-oxotetrahydrofuran-3-yl)sulfanyl-methylene]-(4-methoxyphenyl)-methyl-ammonium bromide CAS Name: [amino-[(2-oxo-3-oxolanyl)thio]methylidene]-(4-methoxyphenyl)-methylammonium bromide IUPAC Name: [amino-(2-oxooxolan-3-yl)sulfanylmethylidene]-(4-methoxyphenyl)-methylazanium bromide Traditional Name: [amino-[(2-ketotetrahydrofuran-3-yl)thio]methylene]-(4-methoxyphenyl)-methyl-ammonium bromide Formula: C13H17BrN2O3S MolecularWeight: 361.25468

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C(N)SC1CCOC1=O)C2=CC=C(C=C2)OC.[Br-]

Isomeric SMILES

C[N+](=C(N)SC1CCOC1=O)C2=CC=C(C=C2)OC.[Br-]

InChI

InChI=1S/C13H16N2O3S.BrH/c1-15(9-3-5-10(17-2)6-4-9)13(14)19-11-7-8-18-12(11)16;/h3-6,11,14H,7-8H2,1-2H3;1H