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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[(2-chlorophenyl)methylthio]-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[(2-chlorobenzyl)thio]-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C19H20ClN2S+ MolecularWeight: 343.8935

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)SCC3=CC=CC=C3Cl)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)SCC3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C19H19ClN2S/c1-2-18-15-9-5-4-8-14(15)16(11-21)19(22-18)23-12-13-7-3-6-10-17(13)20/h3,6-7,10H,2,4-5,8-9,12H2,1H3/p+1