2-[2-(4-chlorophenyl)sulfanylethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[2-(4-chlorophenyl)sulfanylethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[2-[(4-chlorophenyl)thio]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[2-[(4-chlorophenyl)thio]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H19ClNS+ MolecularWeight: 304.85746

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClNS/c18-16-5-7-17(8-6-16)20-12-11-19-10-9-14-3-1-2-4-15(14)13-19/h1-8H,9-13H2/p+1