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

Systemtic Name: 1-(4-bromophenyl)-5-(carboxymethyl)-1,2,3-triazole-4-carboxylate; 3,5-dimethylpiperidin-1-ium Openeye Name: 1-(4-bromophenyl)-5-(carboxymethyl)triazole-4-carboxylate; 3,5-dimethylpiperidin-1-ium CAS Name: 1-(4-bromophenyl)-5-(carboxymethyl)-4-triazolecarboxylate; 3,5-dimethylpiperidin-1-ium IUPAC Name: 1-(4-bromophenyl)-5-(carboxymethyl)triazole-4-carboxylate; 3,5-dimethylpiperidin-1-ium Traditional Name: 1-(4-bromophenyl)-5-(carboxymethyl)triazole-4-carboxylate; 3,5-dimethylpiperidin-1-ium Formula: C18H23BrN4O4 MolecularWeight: 439.30362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH2+]C1)C.C1=CC(=CC=C1N2C(=C(N=N2)C(=O)[O-])CC(=O)O)Br

Isomeric SMILES

CC1CC(C[NH2+]C1)C.C1=CC(=CC=C1N2C(=C(N=N2)C(=O)[O-])CC(=O)O)Br

InChI

InChI=1S/C11H8BrN3O4.C7H15N/c12-6-1-3-7(4-2-6)15-8(5-9(16)17)10(11(18)19)13-14-15;1-6-3-7(2)5-8-4-6/h1-4H,5H2,(H,16,17)(H,18,19);6-8H,3-5H2,1-2H3