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

Systemtic Name: 1-(4-bromophenyl)-5-(carboxymethyl)-1,2,3-triazole-4-carboxylate; piperidin-1-ium Openeye Name: 1-(4-bromophenyl)-5-(carboxymethyl)triazole-4-carboxylate; piperidin-1-ium CAS Name: 1-(4-bromophenyl)-5-(carboxymethyl)-4-triazolecarboxylate; piperidin-1-ium IUPAC Name: 1-(4-bromophenyl)-5-(carboxymethyl)triazole-4-carboxylate; piperidin-1-ium Traditional Name: 1-(4-bromophenyl)-5-(carboxymethyl)triazole-4-carboxylate; piperidin-1-ium Formula: C16H19BrN4O4 MolecularWeight: 411.25046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8BrN3O4.C5H11N/c12-6-1-3-7(4-2-6)15-8(5-9(16)17)10(11(18)19)13-14-15;1-2-4-6-5-3-1/h1-4H,5H2,(H,16,17)(H,18,19);6H,1-5H2