2-(4-azanyl-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-1-naphthalen-1-yl-ethanone bromide

Systemtic Name: 2-(4-azanyl-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-1-naphthalen-1-yl-ethanone bromide Openeye Name: 2-(4-amino-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-1-(1-naphthyl)ethanone bromide CAS Name: 2-(4-amino-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-1-(1-naphthalenyl)ethanone bromide IUPAC Name: 2-(4-amino-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-1-naphthalen-1-ylethanone bromide Traditional Name: 2-(4-amino-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-1-(1-naphthyl)ethanone bromide Formula: C14H15BrN4O MolecularWeight: 335.1991

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Descriptors Computed from Structure

Canonical SMILES:

C1[NH+](N=CN1N)CC(=O)C2=CC=CC3=CC=CC=C32.[Br-]

Isomeric SMILES

C1[NH+](N=CN1N)CC(=O)C2=CC=CC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C14H14N4O.BrH/c15-17-9-16-18(10-17)8-14(19)13-7-3-5-11-4-1-2-6-12(11)13;/h1-7,9H,8,10,15H2;1H