1-morpholin-4-yl-3-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-morpholin-4-yl-3-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-benzylsulfanyl-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(4-morpholinyl)-3-(phenylmethylthio)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(benzylthio)-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C21H24N3OS+ MolecularWeight: 366.49976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c22-14-19-17-8-4-5-9-18(17)20(24-10-12-25-13-11-24)23-21(19)26-15-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-13,15H2/p+1