3-[3-[[4-(bromomethyl)phenyl]methyl]imidazol-3-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[3-[[4-(bromomethyl)phenyl]methyl]imidazol-3-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[3-[[4-(bromomethyl)phenyl]methyl]imidazol-3-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[3-[[4-(bromomethyl)phenyl]methyl]-1-imidazol-3-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[3-[[4-(bromomethyl)phenyl]methyl]imidazol-3-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[3-[4-(bromomethyl)benzyl]imidazol-3-ium-1-yl]propane-1-sulfonic acid Formula: C14H18BrN2O3S+ MolecularWeight: 374.27332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=CN(C=C2)CCCS(=O)(=O)O)CBr

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CN(C=C2)CCCS(=O)(=O)O)CBr

InChI

InChI=1S/C14H17BrN2O3S/c15-10-13-2-4-14(5-3-13)11-17-8-7-16(12-17)6-1-9-21(18,19)20/h2-5,7-8,12H,1,6,9-11H2/p+1