| Molecular Formula | C12H11Br2N |
| Canonicalized Compound | 1 |
| Compound Complexity | 166 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Allowed IUPAC Name | 1-benzyl-3-bromo-pyridin-1-ium;bromide |
| CAS-like Style IUPAC Name | 3-bromo-1-(phenylmethyl)pyridin-1-ium;bromide |
| Markup IUPAC Name | 1-benzyl-3-bromopyridin-1-ium;bromide |
| Preferred IUPAC Name | 1-benzyl-3-bromopyridin-1-ium;bromide |
| Systematic IUPAC Name | 3-bromanyl-1-(phenylmethyl)pyridin-1-ium;bromide |
| Traditional IUPAC Name | 1-benzyl-3-bromo-pyridin-1-ium;bromide |
| Standard InChI | InChI=1S/C12H11BrN.BrH/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;/h1-8,10H,9H2;1H/q+1;/p-1 |
| Standard InChIKey | FMBNHPKQBARDEZ-UHFFFAOYSA-M |
| Exact Mass | 328.92378 |
| Molecular Weight | 329.03 |
| Canonical SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)Br.[Br-] |
| Isomeric SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)Br.[Br-] |
| Polar Surface Area Topological | 3.9 |
| MonoIsotopic Weight | 326.92582 |
| Chemical Structure |  |
| Class | Specialty Materials |
