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

Systemtic Name: methyl (2S)-1-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[2-(4-methoxycarbonylphenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[2-(4-methoxycarbonylphenyl)-5-methyl-4-oxazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[2-(4-carbomethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H23N2O5+ MolecularWeight: 359.39632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5/c1-12-15(11-21-10-4-5-16(21)19(23)25-3)20-17(26-12)13-6-8-14(9-7-13)18(22)24-2/h6-9,16H,4-5,10-11H2,1-3H3/p+1/t16-/m0/s1