N-(1,2-oxazol-3-ylmethyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(1,2-oxazol-3-ylmethyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(isoxazol-3-ylmethyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(3-isoxazolylmethyl)-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(1,2-oxazol-3-ylmethyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(isoxazol-3-ylmethyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C13H16N3O2S+ MolecularWeight: 278.35004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=CC=C(S2)C(=O)NCC3=NOC=C3

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=CC=C(S2)C(=O)NCC3=NOC=C3

InChI

InChI=1S/C13H15N3O2S/c17-13(15-8-9-5-7-18-16-9)12-4-3-11(19-12)10-2-1-6-14-10/h3-5,7,10,14H,1-2,6,8H2,(H,15,17)/p+1/t10-/m1/s1