[azanyl-[(Z)-3-methyl-4-oxidanyl-4-oxidanylidene-but-2-enyl]sulfanyl-methylidene]-prop-2-enyl-azanium bromide

Systemtic Name: [azanyl-[(Z)-3-methyl-4-oxidanyl-4-oxidanylidene-but-2-enyl]sulfanyl-methylidene]-prop-2-enyl-azanium bromide Openeye Name: allyl-[amino-[(Z)-4-hydroxy-3-methyl-4-oxo-but-2-enyl]sulfanyl-methylene]ammonium bromide CAS Name: [amino-[[(Z)-4-hydroxy-3-methyl-4-oxobut-2-enyl]thio]methylidene]-prop-2-enylammonium bromide IUPAC Name: [amino-[(Z)-4-hydroxy-3-methyl-4-oxobut-2-enyl]sulfanylmethylidene]-prop-2-enylazanium bromide Traditional Name: allyl-[amino-[[(Z)-4-hydroxy-4-keto-3-methyl-but-2-enyl]thio]methylene]ammonium bromide Formula: C9H15BrN2O2S MolecularWeight: 295.1966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC(=[NH+]CC=C)N)C(=O)O.[Br-]

Isomeric SMILES

C/C(=C/CSC(=[NH+]CC=C)N)/C(=O)O.[Br-]

InChI

InChI=1S/C9H14N2O2S.BrH/c1-3-5-11-9(10)14-6-4-7(2)8(12)13;/h3-4H,1,5-6H2,2H3,(H2,10,11)(H,12,13);1H/b7-4-;