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

Systemtic Name: 4-[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-[(2S,4R)-4-methoxy-2-pyrrolidin-1-iumyl]-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C13H16N3O3+ MolecularWeight: 262.28444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-18-10-6-11(14-7-10)13-15-12(16-19-13)8-2-4-9(17)5-3-8/h2-5,10-11,14,16H,6-7H2,1H3/p+1/t10-,11+/m1/s1