3-[(4-fluorophenyl)methylsulfanyl]-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[(4-fluorophenyl)methylsulfanyl]-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[(4-fluorophenyl)methylthio]-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[(4-fluorobenzyl)thio]-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C21H23FN3OS+ MolecularWeight: 384.490223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC3=CC=C(C=C3)F)N4CCOCC4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC3=CC=C(C=C3)F)N4CCOCC4

InChI

InChI=1S/C21H22FN3OS/c22-16-7-5-15(6-8-16)14-27-21-19(13-23)17-3-1-2-4-18(17)20(24-21)25-9-11-26-12-10-25/h5-8H,1-4,9-12,14H2/p+1