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

Systemtic Name: 3-(2-cyanoethylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(2-cyanoethylsulfanyl)-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(2-cyanoethylthio)-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(2-cyanoethylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(2-cyanoethylthio)-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCCC#N)N3CCOCC3

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCCC#N)N3CCOCC3

InChI

InChI=1S/C17H20N4OS/c18-6-3-11-23-17-15(12-19)13-4-1-2-5-14(13)16(20-17)21-7-9-22-10-8-21/h1-5,7-11H2/p+1