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

Systemtic Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanethioamide Openeye Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanethioamide CAS Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanethioamide IUPAC Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanethioamide Traditional Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)thiobutyramide Formula: C15H23N2O2S+ MolecularWeight: 295.42032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2S/c1-18-13-8-11-5-7-17(6-3-4-15(16)20)10-12(11)9-14(13)19-2/h8-9H,3-7,10H2,1-2H3,(H2,16,20)/p+1