5-[(2R)-1-[(6-phenoxypyridin-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2R)-1-[(6-phenoxypyridin-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2R)-1-[(6-phenoxy-3-pyridyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2R)-1-[(6-phenoxy-3-pyridinyl)methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2R)-1-[(6-phenoxypyridin-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2R)-1-[(6-phenoxy-3-pyridyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CN=C(C=C2)OC3=CC=CC=C3)C4=CC=C(S4)C(=O)N

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CN=C(C=C2)OC3=CC=CC=C3)C4=CC=C(S4)C(=O)N

InChI

InChI=1S/C21H21N3O2S/c22-21(25)19-10-9-18(27-19)17-7-4-12-24(17)14-15-8-11-20(23-13-15)26-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,17H,4,7,12,14H2,(H2,22,25)/p+1/t17-/m1/s1