2-methoxy-4-[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-methoxy-4-[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-methoxy-4-[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2-methoxy-4-[5-[(2S,4R)-4-methoxy-2-pyrrolidin-1-iumyl]-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-methoxy-4-[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-methoxy-4-[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C14H18N3O4+ MolecularWeight: 292.31042

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC([NH2+]C1)C2=NC(=C3C=CC(=O)C(=C3)OC)NO2

Isomeric SMILES

CO[C@@H]1C[C@H]([NH2+]C1)C2=NC(=C3C=CC(=O)C(=C3)OC)NO2

InChI

InChI=1S/C14H17N3O4/c1-19-9-6-10(15-7-9)14-16-13(17-21-14)8-3-4-11(18)12(5-8)20-2/h3-5,9-10,15,17H,6-7H2,1-2H3/p+1/t9-,10+/m1/s1