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

Systemtic Name: 1-piperidin-1-yl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-(1-piperidyl)-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(1-piperidinyl)-3-[2-(1-pyrrolidin-1-iumyl)ethylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-piperidin-1-yl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-piperidino-3-(2-pyrrolidin-1-ium-1-ylethylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H31N4S+ MolecularWeight: 371.56264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCC[NH+]4CCCC4)C#N

Isomeric SMILES

C1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCC[NH+]4CCCC4)C#N

InChI

InChI=1S/C21H30N4S/c22-16-19-17-8-2-3-9-18(17)20(25-12-4-1-5-13-25)23-21(19)26-15-14-24-10-6-7-11-24/h1-15H2/p+1