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

Systemtic Name: 3-ethylsulfanyl-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-ethylsulfanyl-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(ethylthio)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-ethylsulfanyl-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(ethylthio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C19H21N2S+ MolecularWeight: 309.44844

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=C(C=C3)C

Isomeric SMILES

CCSC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H20N2S/c1-3-22-19-17(12-20)15-6-4-5-7-16(15)18(21-19)14-10-8-13(2)9-11-14/h8-11H,3-7H2,1-2H3/p+1