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

Systemtic Name: 2-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[[4-cyano-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[4-cyano-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(4-cyano-1-piperidino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]-N-(2-furfuryl)acetamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3CCCCC3=C(C(=[NH+]2)SCC(=O)NCC4=CC=CO4)C#N

Isomeric SMILES

C1CCN(CC1)C2=C3CCCCC3=C(C(=[NH+]2)SCC(=O)NCC4=CC=CO4)C#N

InChI

InChI=1S/C22H26N4O2S/c23-13-19-17-8-2-3-9-18(17)21(26-10-4-1-5-11-26)25-22(19)29-15-20(27)24-14-16-7-6-12-28-16/h6-7,12H,1-5,8-11,14-15H2,(H,24,27)/p+1