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

Systemtic Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[4-cyano-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[(4-cyano-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]ethyl-dimethyl-ammonium Formula: C18H28N4S+2 MolecularWeight: 332.50672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCC3

Isomeric SMILES

C[NH+](C)CCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCC3

InChI

InChI=1S/C18H26N4S/c1-21(2)11-12-23-18-16(13-19)14-7-3-4-8-15(14)17(20-18)22-9-5-6-10-22/h3-12H2,1-2H3/p+2