2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[4-cyano-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[(4-cyano-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]-N,N-diethyl-acetamide Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCC3

Isomeric SMILES

CCN(CC)C(=O)CSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCC3

InChI

InChI=1S/C20H28N4OS/c1-3-23(4-2)18(25)14-26-20-17(13-21)15-9-5-6-10-16(15)19(22-20)24-11-7-8-12-24/h3-12,14H2,1-2H3/p+1