(E)-[azanyl-[1-(4-methoxyphenyl)-2-oxidanylidene-pyrrolidin-3-yl]sulfanyl-methylidene]-methyl-azanium bromide

Systemtic Name: (E)-[azanyl-[1-(4-methoxyphenyl)-2-oxidanylidene-pyrrolidin-3-yl]sulfanyl-methylidene]-methyl-azanium bromide Openeye Name: (E)-[amino-[1-(4-methoxyphenyl)-2-oxo-pyrrolidin-3-yl]sulfanyl-methylene]-methyl-ammonium bromide CAS Name: (E)-[amino-[[1-(4-methoxyphenyl)-2-oxo-3-pyrrolidinyl]thio]methylidene]-methylammonium bromide IUPAC Name: (E)-[amino-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]sulfanylmethylidene]-methylazanium bromide Traditional Name: (E)-[amino-[[2-keto-1-(4-methoxyphenyl)pyrrolidin-3-yl]thio]methylene]-methyl-ammonium bromide Formula: C13H18BrN3O2S MolecularWeight: 360.26992

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]=C(N)SC1CCN(C1=O)C2=CC=C(C=C2)OC.[Br-]

Isomeric SMILES

C/[NH+]=C(\N)/SC1CCN(C1=O)C2=CC=C(C=C2)OC.[Br-]

InChI

InChI=1S/C13H17N3O2S.BrH/c1-15-13(14)19-11-7-8-16(12(11)17)9-3-5-10(18-2)6-4-9;/h3-6,11H,7-8H2,1-2H3,(H2,14,15);1H