3-phenoxy-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide

Systemtic Name: 3-phenoxy-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Openeye Name: 3-phenoxy-N-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]propanamide CAS Name: 3-phenoxy-N-[2-[1-(4-thianyl)-4-piperidin-1-iumyl]-3-pyrazolyl]propanamide IUPAC Name: 3-phenoxy-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Traditional Name: 3-phenoxy-N-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]propionamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)C4CCSCC4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)C4CCSCC4

InChI

InChI=1S/C22H30N4O2S/c27-22(9-15-28-20-4-2-1-3-5-20)24-21-6-12-23-26(21)19-7-13-25(14-8-19)18-10-16-29-17-11-18/h1-6,12,18-19H,7-11,13-17H2,(H,24,27)/p+1