[1-[(4-cyanophenyl)methyl]-1H-imidazol-1-ium-5-yl]methyl ethanoate bromide

Systemtic Name: [1-[(4-cyanophenyl)methyl]-1H-imidazol-1-ium-5-yl]methyl ethanoate bromide Openeye Name: [1-[(4-cyanophenyl)methyl]-1H-imidazol-1-ium-5-yl]methyl acetate bromide CAS Name: acetic acid [1-[(4-cyanophenyl)methyl]-1H-imidazol-1-ium-5-yl]methyl ester bromide IUPAC Name: [1-[(4-cyanophenyl)methyl]-1H-imidazol-1-ium-5-yl]methyl acetate bromide Traditional Name: acetic acid [1-(4-cyanobenzyl)-1H-imidazol-1-ium-5-yl]methyl ester bromide Formula: C14H14BrN3O2 MolecularWeight: 336.18386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CN=C[NH+]1CC2=CC=C(C=C2)C#N.[Br-]

Isomeric SMILES

CC(=O)OCC1=CN=C[NH+]1CC2=CC=C(C=C2)C#N.[Br-]

InChI

InChI=1S/C14H13N3O2.BrH/c1-11(18)19-9-14-7-16-10-17(14)8-13-4-2-12(6-15)3-5-13;/h2-5,7,10H,8-9H2,1H3;1H