methyl (2S)-1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[2-(3-furyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[2-(3-furanyl)-5-methyl-4-oxazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[2-(3-furyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C15H19N2O4+ MolecularWeight: 291.32236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=COC=C2)C[NH+]3CCCC3C(=O)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=COC=C2)C[NH+]3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C15H18N2O4/c1-10-12(16-14(21-10)11-5-7-20-9-11)8-17-6-3-4-13(17)15(18)19-2/h5,7,9,13H,3-4,6,8H2,1-2H3/p+1/t13-/m0/s1