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

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(2-hydroxyethylsulfanyl)-1-(4-methyl-1-piperidyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(2-hydroxyethylthio)-1-(4-methyl-1-piperidinyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-hydroxyethylsulfanyl)-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(2-hydroxyethylthio)-1-(4-methylpiperidino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCCO)C#N

Isomeric SMILES

CC1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCCO)C#N

InChI

InChI=1S/C18H25N3OS/c1-13-6-8-21(9-7-13)17-15-5-3-2-4-14(15)16(12-19)18(20-17)23-11-10-22/h13,22H,2-11H2,1H3