trimethyl-(2-oxidanylidene-2-pyren-1-yl-ethyl)azanium hydrobromide

Systemtic Name: trimethyl-(2-oxidanylidene-2-pyren-1-yl-ethyl)azanium hydrobromide Openeye Name: trimethyl-(2-oxo-2-pyren-1-yl-ethyl)ammonium hydrobromide CAS Name: trimethyl-[2-oxo-2-(1-pyrenyl)ethyl]ammonium hydrobromide IUPAC Name: trimethyl-(2-oxo-2-pyren-1-ylethyl)azanium hydrobromide Traditional Name: (2-keto-2-pyren-1-yl-ethyl)-trimethyl-ammonium hydrobromide Formula: C21H21BrNO+ MolecularWeight: 383.30154

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Br

Isomeric SMILES

C[N+](C)(C)CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Br

InChI

InChI=1S/C21H20NO.BrH/c1-22(2,3)13-19(23)17-11-9-16-8-7-14-5-4-6-15-10-12-18(17)21(16)20(14)15;/h4-12H,13H2,1-3H3;1H/q+1;