3-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]propyl-dimethylammonium IUPAC Name: 3-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]propyl-dimethyl-ammonium Formula: C19H30N4OS+2 MolecularWeight: 362.5327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCOCC3

Isomeric SMILES

C[NH+](C)CCCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCOCC3

InChI

InChI=1S/C19H28N4OS/c1-22(2)8-5-13-25-19-17(14-20)15-6-3-4-7-16(15)18(21-19)23-9-11-24-12-10-23/h3-13H2,1-2H3/p+2