(2R)-N-(3-pyrazol-1-ylphenyl)-1-(thian-4-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(3-pyrazol-1-ylphenyl)-1-(thian-4-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(3-pyrazol-1-ylphenyl)-1-tetrahydrothiopyran-4-yl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-[3-(1-pyrazolyl)phenyl]-1-(4-thianyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-N-(3-pyrazol-1-ylphenyl)-1-(thian-4-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(3-pyrazol-1-ylphenyl)-1-tetrahydrothiopyran-4-yl-pyrrolidin-1-ium-2-carboxamide Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)C2CCSCC2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@@H]([NH+](C1)C2CCSCC2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C19H24N4OS/c24-19(18-6-2-10-22(18)16-7-12-25-13-8-16)21-15-4-1-5-17(14-15)23-11-3-9-20-23/h1,3-5,9,11,14,16,18H,2,6-8,10,12-13H2,(H,21,24)/p+1/t18-/m1/s1