(2R)-N-(2-pyridin-3-yloxyphenyl)-1-(thian-4-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(2-pyridin-3-yloxyphenyl)-1-(thian-4-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-N-[2-(3-pyridyloxy)phenyl]-1-tetrahydrothiopyran-4-yl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-[2-(3-pyridinyloxy)phenyl]-1-(4-thianyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-N-(2-pyridin-3-yloxyphenyl)-1-(thian-4-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[2-(3-pyridyloxy)phenyl]-1-tetrahydrothiopyran-4-yl-pyrrolidin-1-ium-2-carboxamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)C2CCSCC2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H]([NH+](C1)C2CCSCC2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C21H25N3O2S/c25-21(19-7-4-12-24(19)16-9-13-27-14-10-16)23-18-6-1-2-8-20(18)26-17-5-3-11-22-15-17/h1-3,5-6,8,11,15-16,19H,4,7,9-10,12-14H2,(H,23,25)/p+1/t19-/m1/s1