ethyl (3R)-2-(2-bromophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-3H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl (3R)-2-(2-bromophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-3H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl (3R)-2-(2-bromophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-3H-1,2,4-triazole-5-carboxylate CAS Name: (3R)-2-(2-bromophenyl)-4-[3-(4-morpholin-4-iumyl)propyl]-3-phenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-(2-bromophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-3H-1,2,4-triazole-5-carboxylate Traditional Name: (3R)-2-(2-bromophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C24H30BrN4O3+ MolecularWeight: 502.424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(N1CCC[NH+]2CCOCC2)C3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

CCOC(=O)C1=NN([C@@H](N1CCC[NH+]2CCOCC2)C3=CC=CC=C3)C4=CC=CC=C4Br

InChI

InChI=1S/C24H29BrN4O3/c1-2-32-24(30)22-26-29(21-12-7-6-11-20(21)25)23(19-9-4-3-5-10-19)28(22)14-8-13-27-15-17-31-18-16-27/h3-7,9-12,23H,2,8,13-18H2,1H3/p+1/t23-/m1/s1