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

Systemtic Name: 3-(2-methoxyethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(2-methoxyethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(2-methoxyethylthio)-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(2-methoxyethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(2-methoxyethylthio)-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCC3

Isomeric SMILES

COCCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCC3

InChI

InChI=1S/C17H23N3OS/c1-21-10-11-22-17-15(12-18)13-6-2-3-7-14(13)16(19-17)20-8-4-5-9-20/h2-11H2,1H3/p+1