3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide

Systemtic Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Openeye Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide CAS Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide IUPAC Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Traditional Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)thiopropionamide Formula: C14H21N2O2S+ MolecularWeight: 281.39374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CCC(=S)N)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CCC(=S)N)OC

InChI

InChI=1S/C14H20N2O2S/c1-17-12-7-10-3-5-16(6-4-14(15)19)9-11(10)8-13(12)18-2/h7-8H,3-6,9H2,1-2H3,(H2,15,19)/p+1