3-(4-bromanylbutyl)-1-oxidanidyl-1-(phenylmethyl)-4H-pyrimidin-1-ium-2-one

Systemtic Name: 3-(4-bromanylbutyl)-1-oxidanidyl-1-(phenylmethyl)-4H-pyrimidin-1-ium-2-one Openeye Name: 1-benzyl-3-(4-bromobutyl)-1-oxido-4H-pyrimidin-1-ium-2-one CAS Name: 3-(4-bromobutyl)-1-oxido-1-(phenylmethyl)-4H-pyrimidin-1-ium-2-one IUPAC Name: 1-benzyl-3-(4-bromobutyl)-1-oxido-4H-pyrimidin-1-ium-2-one Traditional Name: 1-benzyl-3-(4-bromobutyl)-1-oxido-4H-pyrimidin-1-ium-2-one Formula: C15H19BrN2O2 MolecularWeight: 339.22756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C[N+](C(=O)N1CCCCBr)(CC2=CC=CC=C2)[O-]

Isomeric SMILES

C1C=C[N+](C(=O)N1CCCCBr)(CC2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H19BrN2O2/c16-9-4-5-10-17-11-6-12-18(20,15(17)19)13-14-7-2-1-3-8-14/h1-3,6-8,12H,4-5,9-11,13H2