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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=NC=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=NC=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN2O3/c1-22-17(21)13-6-8-20(9-7-13)11-16-19-10-15(23-16)12-2-4-14(18)5-3-12/h2-5,10,13H,6-9,11H2,1H3/p+1