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

Systemtic Name: methyl (2R)-1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[2-(3-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[2-(3-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C18H22ClN2O3+ MolecularWeight: 349.83188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)C[NH+]3CCCCC3C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O3/c1-12-15(11-21-9-4-3-8-16(21)18(22)23-2)20-17(24-12)13-6-5-7-14(19)10-13/h5-7,10,16H,3-4,8-9,11H2,1-2H3/p+1/t16-/m1/s1