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

Systemtic Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[4-cyano-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(4-cyano-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]-N-(2-furfuryl)acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC(=O)NCC3=CC=CO3)N4CCCC4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC(=O)NCC3=CC=CO3)N4CCCC4

InChI

InChI=1S/C21H24N4O2S/c22-12-18-16-7-1-2-8-17(16)20(25-9-3-4-10-25)24-21(18)28-14-19(26)23-13-15-6-5-11-27-15/h5-6,11H,1-4,7-10,13-14H2,(H,23,26)/p+1