6-methylidene-3-methylsulfanyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1,2,4-triazinan-5-one

Systemtic Name: 6-methylidene-3-methylsulfanyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1,2,4-triazinan-5-one Openeye Name: 6-methylene-3-methylsulfanyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1,2,4-triazinan-5-one CAS Name: 6-methylene-3-(methylthio)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1,2,4-triazinan-5-one IUPAC Name: 6-methylidene-3-methylsulfanyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1,2,4-triazinan-5-one Traditional Name: 6-methylene-3-(methylthio)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1,2,4-triazinan-5-one Formula: C14H19N4OS+ MolecularWeight: 291.39186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1(NC(=O)C(=C)NN1)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CSC1(NC(=O)C(=C)NN1)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C14H18N4OS/c1-10-13(19)15-14(20-2,17-16-10)18-8-7-11-5-3-4-6-12(11)9-18/h3-6,16-17H,1,7-9H2,2H3,(H,15,19)/p+1