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

Systemtic Name: methyl (2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[5-methyl-2-(5-methyl-2-thienyl)oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[5-methyl-2-(5-methyl-2-thiophenyl)-4-oxazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[5-methyl-2-(5-methyl-2-thienyl)oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H21N2O3S+ MolecularWeight: 321.41454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC(=C(O2)C)C[NH+]3CCCC3C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)C2=NC(=C(O2)C)C[NH+]3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C16H20N2O3S/c1-10-6-7-14(22-10)15-17-12(11(2)21-15)9-18-8-4-5-13(18)16(19)20-3/h6-7,13H,4-5,8-9H2,1-3H3/p+1/t13-/m0/s1