N-[4-(2-hydroxyethyl)phenyl]-5-[(2R)-1-(oxan-4-yl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-(2-hydroxyethyl)phenyl]-5-[(2R)-1-(oxan-4-yl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-[4-(2-hydroxyethyl)phenyl]-5-[(2R)-1-tetrahydropyran-4-ylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-[4-(2-hydroxyethyl)phenyl]-5-[(2R)-1-(4-oxanyl)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(2-hydroxyethyl)phenyl]-5-[(2R)-1-(oxan-4-yl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-[4-(2-hydroxyethyl)phenyl]-5-[(2R)-1-tetrahydropyran-4-ylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)C2CCOCC2)C3=CC=C(S3)C(=O)NC4=CC=C(C=C4)CCO

Isomeric SMILES

C1C[C@@H]([NH+](C1)C2CCOCC2)C3=CC=C(S3)C(=O)NC4=CC=C(C=C4)CCO

InChI

InChI=1S/C22H28N2O3S/c25-13-9-16-3-5-17(6-4-16)23-22(26)21-8-7-20(28-21)19-2-1-12-24(19)18-10-14-27-15-11-18/h3-8,18-19,25H,1-2,9-15H2,(H,23,26)/p+1/t19-/m1/s1