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

Systemtic Name: methyl (2S)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCCC3C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C16H19N3O4/c1-21-12-7-5-11(6-8-12)15-17-14(23-18-15)10-19-9-3-4-13(19)16(20)22-2/h5-8,13H,3-4,9-10H2,1-2H3/p+1/t13-/m0/s1