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

Systemtic Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanethioamide Openeye Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanethioamide CAS Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanethioamide IUPAC Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanethioamide Traditional Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)thiobutyramide Formula: C13H19N2S+ MolecularWeight: 235.36836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2S/c14-13(16)6-3-8-15-9-7-11-4-1-2-5-12(11)10-15/h1-2,4-5H,3,6-10H2,(H2,14,16)/p+1