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

Systemtic Name: ethyl 2-(2-methyl-3-phenacyl-benzimidazol-3-ium-1-yl)ethanoate bromide Openeye Name: ethyl 2-(2-methyl-3-phenacyl-benzimidazol-3-ium-1-yl)acetate bromide CAS Name: 2-(2-methyl-3-phenacyl-1-benzimidazol-3-iumyl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(2-methyl-3-phenacylbenzimidazol-3-ium-1-yl)acetate bromide Traditional Name: 2-(2-methyl-3-phenacyl-benzimidazol-3-ium-1-yl)acetic acid ethyl ester bromide Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=[N+](C2=CC=CC=C21)CC(=O)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CCOC(=O)CN1C(=[N+](C2=CC=CC=C21)CC(=O)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C20H21N2O3.BrH/c1-3-25-20(24)14-22-15(2)21(17-11-7-8-12-18(17)22)13-19(23)16-9-5-4-6-10-16;/h4-12H,3,13-14H2,1-2H3;1H/q+1;/p-1