ethyl 2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanoate bromide

Systemtic Name: ethyl 2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanoate bromide Openeye Name: ethyl 2-(3-allylbenzimidazol-1-ium-1-yl)acetate bromide CAS Name: 2-(3-prop-2-enyl-1-benzimidazol-1-iumyl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)acetate bromide Traditional Name: 2-(3-allylbenzimidazol-1-ium-1-yl)acetic acid ethyl ester bromide Formula: C14H17BrN2O2 MolecularWeight: 325.20098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N2O2.BrH/c1-3-9-15-11-16(10-14(17)18-4-2)13-8-6-5-7-12(13)15;/h3,5-8,11H,1,4,9-10H2,2H3;1H/q+1;/p-1