1-methyl-3-prop-2-enyl-benzimidazol-1-ium bromide

Systemtic Name: 1-methyl-3-prop-2-enyl-benzimidazol-1-ium bromide Openeye Name: 1-allyl-3-methyl-benzimidazol-3-ium bromide CAS Name: 1-methyl-3-prop-2-enylbenzimidazol-1-ium bromide IUPAC Name: 1-methyl-3-prop-2-enylbenzimidazol-1-ium bromide Traditional Name: 1-allyl-3-methyl-benzimidazol-3-ium bromide Formula: C11H13BrN2 MolecularWeight: 253.13832

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CC=C.[Br-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CC=C.[Br-]

InChI

InChI=1S/C11H13N2.BrH/c1-3-8-13-9-12(2)10-6-4-5-7-11(10)13;/h3-7,9H,1,8H2,2H3;1H/q+1;/p-1