4-[[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol

Systemtic Name: 4-[[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol Openeye Name: 4-[[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol CAS Name: 4-[[5-[(2S,4R)-4-methoxy-2-pyrrolidin-1-iumyl]-1,2,4-oxadiazol-3-yl]methyl]phenol IUPAC Name: 4-[[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol Traditional Name: 4-[[5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol Formula: C14H18N3O3+ MolecularWeight: 276.31102

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC([NH2+]C1)C2=NC(=NO2)CC3=CC=C(C=C3)O

Isomeric SMILES

CO[C@@H]1C[C@H]([NH2+]C1)C2=NC(=NO2)CC3=CC=C(C=C3)O

InChI

InChI=1S/C14H17N3O3/c1-19-11-7-12(15-8-11)14-16-13(17-20-14)6-9-2-4-10(18)5-3-9/h2-5,11-12,15,18H,6-8H2,1H3/p+1/t11-,12+/m1/s1