3-methylsulfanyl-1-phenethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-methylsulfanyl-1-phenethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-methylsulfanyl-1-phenethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(methylthio)-1-phenethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-methylsulfanyl-1-phenethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(methylthio)-1-phenethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C19H21N2S+ MolecularWeight: 309.44844

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[NH+]C(=C2CCCCC2=C1C#N)CCC3=CC=CC=C3

Isomeric SMILES

CSC1=[NH+]C(=C2CCCCC2=C1C#N)CCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2S/c1-22-19-17(13-20)15-9-5-6-10-16(15)18(21-19)12-11-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3/p+1