N-(pyridin-3-ylmethyl)-5-[(2R)-1-(thian-4-yl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-5-[(2R)-1-(thian-4-yl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(3-pyridylmethyl)-5-[(2R)-1-tetrahydrothiopyran-4-ylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(3-pyridinylmethyl)-5-[(2R)-1-(4-thianyl)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-5-[(2R)-1-(thian-4-yl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(3-pyridylmethyl)-5-[(2R)-1-tetrahydrothiopyran-4-ylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C20H26N3OS2+ MolecularWeight: 388.56994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)C2CCSCC2)C3=CC=C(S3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H]([NH+](C1)C2CCSCC2)C3=CC=C(S3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C20H25N3OS2/c24-20(22-14-15-3-1-9-21-13-15)19-6-5-18(26-19)17-4-2-10-23(17)16-7-11-25-12-8-16/h1,3,5-6,9,13,16-17H,2,4,7-8,10-12,14H2,(H,22,24)/p+1/t17-/m1/s1