3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide

Systemtic Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Openeye Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide CAS Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide IUPAC Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Traditional Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)thiopropionamide Formula: C12H17N2S+ MolecularWeight: 221.34178

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCC(=S)N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCC(=S)N

InChI

InChI=1S/C12H16N2S/c13-12(15)6-8-14-7-5-10-3-1-2-4-11(10)9-14/h1-4H,5-9H2,(H2,13,15)/p+1