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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C3CCCCC3=C(C(=[NH+]2)SCC[NH+](C)C)C#N

Isomeric SMILES

CC1CCN(CC1)C2=C3CCCCC3=C(C(=[NH+]2)SCC[NH+](C)C)C#N

InChI

InChI=1S/C20H30N4S/c1-15-8-10-24(11-9-15)19-17-7-5-4-6-16(17)18(14-21)20(22-19)25-13-12-23(2)3/h15H,4-13H2,1-3H3/p+2