N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C20H22ClN4OS2+ MolecularWeight: 433.99788

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CSC2=NC=NC3=C2C=CS3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CSC2=NC=NC3=C2C=CS3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN4OS2/c21-15-3-1-14(2-4-15)11-25-8-5-16(6-9-25)24-18(26)12-28-20-17-7-10-27-19(17)22-13-23-20/h1-4,7,10,13,16H,5-6,8-9,11-12H2,(H,24,26)/p+1