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

Systemtic Name: methyl 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H19BrN3O3+ MolecularWeight: 381.24436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=NN=C(O2)C3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=NN=C(O2)C3=CC=CC=C3Br

InChI

InChI=1S/C16H18BrN3O3/c1-22-16(21)11-6-8-20(9-7-11)10-14-18-19-15(23-14)12-4-2-3-5-13(12)17/h2-5,11H,6-10H2,1H3/p+1