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

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C19H19Cl2N2S+ MolecularWeight: 378.33856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)SCC3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)SCC3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C19H18Cl2N2S/c1-2-18-14-6-4-3-5-13(14)15(10-22)19(23-18)24-11-12-7-8-16(20)17(21)9-12/h7-9H,2-6,11H2,1H3/p+1