2-[6-azanyl-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[6-azanyl-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[6-amino-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-bromophenyl)ethanone CAS Name: 2-[6-amino-5-(bromomethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[6-amino-5-(bromomethyl)-2-methylpyrimidin-1-ium-1-yl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[6-amino-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-bromophenyl)ethanone Formula: C14H14Br2N3O+ MolecularWeight: 400.08846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=[N+]1CC(=O)C2=CC=C(C=C2)Br)N)CBr

Isomeric SMILES

CC1=NC=C(C(=[N+]1CC(=O)C2=CC=C(C=C2)Br)N)CBr

InChI

InChI=1S/C14H13Br2N3O/c1-9-18-7-11(6-15)14(17)19(9)8-13(20)10-2-4-12(16)5-3-10/h2-5,7,17H,6,8H2,1H3/p+1