1-(4-bromophenyl)-5-(carboxymethyl)-1,2,3-triazole-4-carboxylate; ethyl piperidin-1-ium-4-carboxylate

Systemtic Name: 1-(4-bromophenyl)-5-(carboxymethyl)-1,2,3-triazole-4-carboxylate; ethyl piperidin-1-ium-4-carboxylate Openeye Name: 1-(4-bromophenyl)-5-(carboxymethyl)triazole-4-carboxylate; ethyl piperidin-1-ium-4-carboxylate CAS Name: 1-(4-bromophenyl)-5-(carboxymethyl)-4-triazolecarboxylate; 4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: 1-(4-bromophenyl)-5-(carboxymethyl)triazole-4-carboxylate; ethyl piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-bromophenyl)-5-(carboxymethyl)triazole-4-carboxylate; piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H23BrN4O6 MolecularWeight: 483.31312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH2+]CC1.C1=CC(=CC=C1N2C(=C(N=N2)C(=O)[O-])CC(=O)O)Br

Isomeric SMILES

CCOC(=O)C1CC[NH2+]CC1.C1=CC(=CC=C1N2C(=C(N=N2)C(=O)[O-])CC(=O)O)Br

InChI

InChI=1S/C11H8BrN3O4.C8H15NO2/c12-6-1-3-7(4-2-6)15-8(5-9(16)17)10(11(18)19)13-14-15;1-2-11-8(10)7-3-5-9-6-4-7/h1-4H,5H2,(H,16,17)(H,18,19);7,9H,2-6H2,1H3