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

Systemtic Name: methyl (2S)-1-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H25N2O5+ MolecularWeight: 361.4122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O5/c1-12-14(11-21-9-5-6-15(21)19(22)25-4)20-18(26-12)13-7-8-16(23-2)17(10-13)24-3/h7-8,10,15H,5-6,9,11H2,1-4H3/p+1/t15-/m0/s1