(2R)-N-(4-pyrazol-1-ylphenyl)-1-(thian-4-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(thian-4-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(1-pyrazolyl)phenyl]-1-(4-thianyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(thian-4-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-2-carboxamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)C4CCSCC4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)C4CCSCC4

InChI

InChI=1S/C20H26N4OS/c25-20(19-4-1-2-12-23(19)17-9-14-26-15-10-17)22-16-5-7-18(8-6-16)24-13-3-11-21-24/h3,5-8,11,13,17,19H,1-2,4,9-10,12,14-15H2,(H,22,25)/p+1/t19-/m1/s1