2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-N-(4-bromophenyl)ethanamide

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-N-(4-bromophenyl)ethanamide Openeye Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-N-(4-bromophenyl)acetamide CAS Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-N-(4-bromophenyl)acetamide IUPAC Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-N-(4-bromophenyl)acetamide Traditional Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-N-(4-bromophenyl)acetamide Formula: C12H15BrN5O+ MolecularWeight: 325.1844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1N)C)CC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=NN(C(=[N+]1N)C)CC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H14BrN5O/c1-8-16-17(9(2)18(8)14)7-12(19)15-11-5-3-10(13)4-6-11/h3-6H,7,14H2,1-2H3/p+1