3-(2-bromanylprop-2-enyl)-2-(3,4-dimethoxyphenyl)-1H-benzimidazol-3-ium

Systemtic Name: 3-(2-bromanylprop-2-enyl)-2-(3,4-dimethoxyphenyl)-1H-benzimidazol-3-ium Openeye Name: 3-(2-bromoallyl)-2-(3,4-dimethoxyphenyl)-1H-benzimidazol-3-ium CAS Name: 3-(2-bromoprop-2-enyl)-2-(3,4-dimethoxyphenyl)-1H-benzimidazol-3-ium IUPAC Name: 3-(2-bromoprop-2-enyl)-2-(3,4-dimethoxyphenyl)-1H-benzimidazol-3-ium Traditional Name: 3-(2-bromoallyl)-2-(3,4-dimethoxyphenyl)-1H-benzimidazol-3-ium Formula: C18H18BrN2O2+ MolecularWeight: 374.25172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=[N+](C3=CC=CC=C3N2)CC(=C)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=[N+](C3=CC=CC=C3N2)CC(=C)Br)OC

InChI

InChI=1S/C18H17BrN2O2/c1-12(19)11-21-15-7-5-4-6-14(15)20-18(21)13-8-9-16(22-2)17(10-13)23-3/h4-10H,1,11H2,2-3H3/p+1