3-(2-hydroxyethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(2-hydroxyethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(2-hydroxyethylthio)-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(2-hydroxyethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(2-hydroxyethylthio)-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCCO)N3CCCC3

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCCO)N3CCCC3

InChI

InChI=1S/C16H21N3OS/c17-11-14-12-5-1-2-6-13(12)15(19-7-3-4-8-19)18-16(14)21-10-9-20/h20H,1-10H2/p+1