1-(4-methylphenyl)-3-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-(4-methylphenyl)-3-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-methylsulfanyl-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(4-methylphenyl)-3-(methylthio)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-(4-methylphenyl)-3-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(methylthio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H19N2S+ MolecularWeight: 295.42186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=[NH+]2)SC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=[NH+]2)SC)C#N

InChI

InChI=1S/C18H18N2S/c1-12-7-9-13(10-8-12)17-15-6-4-3-5-14(15)16(11-19)18(20-17)21-2/h7-10H,3-6H2,1-2H3/p+1