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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCC[NH+]4CCCC4)C#N

Isomeric SMILES

CC1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCC[NH+]4CCCC4)C#N

InChI

InChI=1S/C22H32N4S/c1-17-8-12-26(13-9-17)21-19-7-3-2-6-18(19)20(16-23)22(24-21)27-15-14-25-10-4-5-11-25/h17H,2-15H2,1H3/p+1