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

Systemtic Name: methyl (2S)-1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[2-(3-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[2-(3-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C17H20ClN2O3+ MolecularWeight: 335.8053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O3/c1-11-14(10-20-8-4-7-15(20)17(21)22-2)19-16(23-11)12-5-3-6-13(18)9-12/h3,5-6,9,15H,4,7-8,10H2,1-2H3/p+1/t15-/m0/s1