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

Systemtic Name: 2-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[[4-cyano-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[4-cyano-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[(4-cyano-1-piperidino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]ethyl-dimethyl-ammonium Formula: C19H30N4S+2 MolecularWeight: 346.5333

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCCC3

Isomeric SMILES

C[NH+](C)CCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCCC3

InChI

InChI=1S/C19H28N4S/c1-22(2)12-13-24-19-17(14-20)15-8-4-5-9-16(15)18(21-19)23-10-6-3-7-11-23/h3-13H2,1-2H3/p+2