1-(4-bromophenyl)-5-(carboxymethyl)-1,2,3-triazole-4-carboxylate; 3-morpholin-4-ylpropylazanium

Systemtic Name: 1-(4-bromophenyl)-5-(carboxymethyl)-1,2,3-triazole-4-carboxylate; 3-morpholin-4-ylpropylazanium Openeye Name: 1-(4-bromophenyl)-5-(carboxymethyl)triazole-4-carboxylate; 3-morpholinopropylammonium CAS Name: 1-(4-bromophenyl)-5-(carboxymethyl)-4-triazolecarboxylate; 3-(4-morpholinyl)propylammonium IUPAC Name: 1-(4-bromophenyl)-5-(carboxymethyl)triazole-4-carboxylate; 3-morpholin-4-ylpropylazanium Traditional Name: 1-(4-bromophenyl)-5-(carboxymethyl)triazole-4-carboxylate; 3-morpholinopropylammonium Formula: C18H24BrN5O5 MolecularWeight: 470.31766

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC[NH3+].C1=CC(=CC=C1N2C(=C(N=N2)C(=O)[O-])CC(=O)O)Br

Isomeric SMILES

C1COCCN1CCC[NH3+].C1=CC(=CC=C1N2C(=C(N=N2)C(=O)[O-])CC(=O)O)Br

InChI

InChI=1S/C11H8BrN3O4.C7H16N2O/c12-6-1-3-7(4-2-6)15-8(5-9(16)17)10(11(18)19)13-14-15;8-2-1-3-9-4-6-10-7-5-9/h1-4H,5H2,(H,16,17)(H,18,19);1-8H2