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

Systemtic Name: 3-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]sulfanyl]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]propyl-dimethylammonium IUPAC Name: 3-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-1-piperidino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]propyl-dimethyl-ammonium Formula: C20H32N4S+2 MolecularWeight: 360.55988

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCCC3

Isomeric SMILES

C[NH+](C)CCCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCCC3

InChI

InChI=1S/C20H30N4S/c1-23(2)11-8-14-25-20-18(15-21)16-9-4-5-10-17(16)19(22-20)24-12-6-3-7-13-24/h3-14H2,1-2H3/p+2