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

Systemtic Name: 3-methyl-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: 3-methyl-N-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]butanamide CAS Name: 3-methyl-N-[2-[1-(4-thianyl)-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: 3-methyl-N-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]butyramide Formula: C18H31N4OS+ MolecularWeight: 351.52994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)C3CCSCC3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)C3CCSCC3

InChI

InChI=1S/C18H30N4OS/c1-14(2)13-18(23)20-17-3-8-19-22(17)16-4-9-21(10-5-16)15-6-11-24-12-7-15/h3,8,14-16H,4-7,9-13H2,1-2H3,(H,20,23)/p+1