(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thian-4-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thian-4-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(4-thianyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thian-4-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-2-carboxamide Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCCC[NH+]3C4CCSCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)[C@H]3CCCC[NH+]3C4CCSCC4)C

InChI

InChI=1S/C22H30N4OS/c1-16-15-17(2)26(24-16)20-8-6-18(7-9-20)23-22(27)21-5-3-4-12-25(21)19-10-13-28-14-11-19/h6-9,15,19,21H,3-5,10-14H2,1-2H3,(H,23,27)/p+1/t21-/m1/s1