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

Systemtic Name: 4-phenyl-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: 4-phenyl-N-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]butanamide CAS Name: 4-phenyl-N-[2-[1-(4-thianyl)-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 4-phenyl-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: 4-phenyl-N-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]butyramide Formula: C23H33N4OS+ MolecularWeight: 413.59932

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)C4CCSCC4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)C4CCSCC4

InChI

InChI=1S/C23H32N4OS/c28-23(8-4-7-19-5-2-1-3-6-19)25-22-9-14-24-27(22)21-10-15-26(16-11-21)20-12-17-29-18-13-20/h1-3,5-6,9,14,20-21H,4,7-8,10-13,15-18H2,(H,25,28)/p+1