3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[2-(1-piperidin-1-iumyl)ethylthio]-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(2-piperidin-1-ium-1-ylethylthio)-1-piperidino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C22H33N4S+ MolecularWeight: 385.58922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC(=C3CCCCC3=C2C#N)N4CCCCC4

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC(=C3CCCCC3=C2C#N)N4CCCCC4

InChI

InChI=1S/C22H32N4S/c23-17-20-18-9-3-4-10-19(18)21(26-13-7-2-8-14-26)24-22(20)27-16-15-25-11-5-1-6-12-25/h1-16H2/p+1