N-(4,6-dimethylpyridin-2-yl)-5-[(2R)-1-(oxan-4-yl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(4,6-dimethylpyridin-2-yl)-5-[(2R)-1-(oxan-4-yl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(4,6-dimethyl-2-pyridyl)-5-[(2R)-1-tetrahydropyran-4-ylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(4,6-dimethyl-2-pyridinyl)-5-[(2R)-1-(4-oxanyl)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(4,6-dimethylpyridin-2-yl)-5-[(2R)-1-(oxan-4-yl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(4,6-dimethyl-2-pyridyl)-5-[(2R)-1-tetrahydropyran-4-ylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)NC(=O)C2=CC=C(S2)C3CCC[NH+]3C4CCOCC4)C

Isomeric SMILES

CC1=CC(=NC(=C1)NC(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3C4CCOCC4)C

InChI

InChI=1S/C21H27N3O2S/c1-14-12-15(2)22-20(13-14)23-21(25)19-6-5-18(27-19)17-4-3-9-24(17)16-7-10-26-11-8-16/h5-6,12-13,16-17H,3-4,7-11H2,1-2H3,(H,22,23,25)/p+1/t17-/m1/s1