2-(4-azanyl-3,5-diethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)propan-1-one

Systemtic Name: 2-(4-azanyl-3,5-diethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)propan-1-one Openeye Name: 2-(4-amino-3,5-diethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)propan-1-one CAS Name: 2-(4-amino-3,5-diethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)-1-propanone IUPAC Name: 2-(4-amino-3,5-diethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)propan-1-one Traditional Name: 2-(4-amino-3,5-diethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)propan-1-one Formula: C15H20BrN4O+ MolecularWeight: 352.2495

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=[N+]1N)CC)C(C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC1=NN(C(=[N+]1N)CC)C(C)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H20BrN4O/c1-4-13-18-20(14(5-2)19(13)17)10(3)15(21)11-6-8-12(16)9-7-11/h6-10H,4-5,17H2,1-3H3/q+1