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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCC3

Isomeric SMILES

C[NH+](C)CCCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCC3

InChI

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