2-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[2-[2-(p-tolylsulfanyl)ethoxy]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[2-[2-[(4-methylphenyl)thio]ethoxy]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[2-[2-(p-tolylthio)ethoxy]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H26NOS+ MolecularWeight: 328.49154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCOCC[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=C(C=C1)SCCOCC[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H25NOS/c1-17-6-8-20(9-7-17)23-15-14-22-13-12-21-11-10-18-4-2-3-5-19(18)16-21/h2-9H,10-16H2,1H3/p+1