1-(3-fluorophenyl)-3-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea

Systemtic Name: 1-(3-fluorophenyl)-3-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea Openeye Name: 1-(3-fluorophenyl)-3-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]urea CAS Name: 1-(3-fluorophenyl)-3-[2-[1-(4-thianyl)-4-piperidin-1-iumyl]-3-pyrazolyl]urea IUPAC Name: 1-(3-fluorophenyl)-3-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea Traditional Name: 1-(3-fluorophenyl)-3-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]urea Formula: C20H27FN5OS+ MolecularWeight: 404.524683

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)NC3=CC(=CC=C3)F)C4CCSCC4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)NC3=CC(=CC=C3)F)C4CCSCC4

InChI

InChI=1S/C20H26FN5OS/c21-15-2-1-3-16(14-15)23-20(27)24-19-4-9-22-26(19)18-5-10-25(11-6-18)17-7-12-28-13-8-17/h1-4,9,14,17-18H,5-8,10-13H2,(H2,23,24,27)/p+1