N-(2-prop-2-enylsulfanylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(2-prop-2-enylsulfanylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[2-(prop-2-enylthio)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2-prop-2-enylsulfanylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C20H23N2OS+ MolecularWeight: 339.47442

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H22N2OS/c1-2-13-24-19-10-6-5-9-18(19)21-20(23)15-22-12-11-16-7-3-4-8-17(16)14-22/h2-10H,1,11-15H2,(H,21,23)/p+1