2-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl-dimethyl-(phenylmethyl)azanium bromide

Systemtic Name: 2-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl-dimethyl-(phenylmethyl)azanium bromide Openeye Name: benzyl-[2-(3,6-dimethyl-2,4-dioxo-pyrimidin-1-yl)ethyl]-dimethyl-ammonium bromide CAS Name: 2-(3,6-dimethyl-2,4-dioxo-1-pyrimidinyl)ethyl-dimethyl-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-[2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl]-dimethylazanium bromide Traditional Name: benzyl-[2-(2,4-diketo-3,6-dimethyl-pyrimidin-1-yl)ethyl]-dimethyl-ammonium bromide Formula: C17H24BrN3O2 MolecularWeight: 382.29536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=O)N1CC[N+](C)(C)CC2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CC1=CC(=O)N(C(=O)N1CC[N+](C)(C)CC2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C17H24N3O2.BrH/c1-14-12-16(21)18(2)17(22)19(14)10-11-20(3,4)13-15-8-6-5-7-9-15;/h5-9,12H,10-11,13H2,1-4H3;1H/q+1;/p-1