2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-6-methylsulfanyl-quinolin-1-ium

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-6-methylsulfanyl-quinolin-1-ium Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-6-methylsulfanyl-quinolin-1-ium CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-6-(methylthio)quinolin-1-ium IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-6-methylsulfanylquinolin-1-ium Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-6-(methylthio)quinolin-1-ium Formula: C20H21N2S+ MolecularWeight: 321.45914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N2S/c1-14-11-20(21-19-8-7-17(23-2)12-18(14)19)22-10-9-15-5-3-4-6-16(15)13-22/h3-8,11-12H,9-10,13H2,1-2H3/p+1