2-phenyl-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide

Systemtic Name: 2-phenyl-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: 2-phenyl-N-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]acetamide CAS Name: 2-phenyl-N-[2-[1-(4-thianyl)-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: 2-phenyl-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: 2-phenyl-N-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]acetamide Formula: C21H29N4OS+ MolecularWeight: 385.54616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)C4CCSCC4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)C4CCSCC4

InChI

InChI=1S/C21H28N4OS/c26-21(16-17-4-2-1-3-5-17)23-20-6-11-22-25(20)19-7-12-24(13-8-19)18-9-14-27-15-10-18/h1-6,11,18-19H,7-10,12-16H2,(H,23,26)/p+1