2-(6-cyano-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)ethyl ethanoate bromide

Systemtic Name: 2-(6-cyano-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)ethyl ethanoate bromide Openeye Name: 2-(6-cyano-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)ethyl acetate bromide CAS Name: acetic acid 2-(6-cyano-3-ethyl-2-methyl-1-benzimidazol-3-iumyl)ethyl ester bromide IUPAC Name: 2-(6-cyano-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)ethyl acetate bromide Traditional Name: acetic acid 2-(6-cyano-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)ethyl ester bromide Formula: C15H18BrN3O2 MolecularWeight: 352.22632

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C#N)CCOC(=O)C)C.[Br-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C#N)CCOC(=O)C)C.[Br-]

InChI

InChI=1S/C15H18N3O2.BrH/c1-4-17-11(2)18(7-8-20-12(3)19)15-9-13(10-16)5-6-14(15)17;/h5-6,9H,4,7-8H2,1-3H3;1H/q+1;/p-1