1-morpholin-4-yl-3-phenacylsulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-morpholin-4-yl-3-phenacylsulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-morpholino-3-phenacylsulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(4-morpholinyl)-3-(phenacylthio)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-morpholin-4-yl-3-phenacylsulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-morpholino-3-(phenacylthio)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C22H24N3O2S+ MolecularWeight: 394.50986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c23-14-19-17-8-4-5-9-18(17)21(25-10-12-27-13-11-25)24-22(19)28-15-20(26)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-13,15H2/p+1