3-[(4-chlorophenyl)methylsulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[(4-chlorophenyl)methylthio]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[(4-chlorobenzyl)thio]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H18ClN2S+ MolecularWeight: 329.86692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)SCC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)SCC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C18H17ClN2S/c1-12-15-4-2-3-5-16(15)17(10-20)18(21-12)22-11-13-6-8-14(19)9-7-13/h6-9H,2-5,11H2,1H3/p+1