ethyl 2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-(3-benzylbenzimidazol-3-ium-1-yl)acetate bromide CAS Name: 2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(3-benzylbenzimidazol-3-ium-1-yl)acetate bromide Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)acetic acid ethyl ester bromide Formula: C18H19BrN2O2 MolecularWeight: 375.25966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC(=O)CN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H19N2O2.BrH/c1-2-22-18(21)13-20-14-19(12-15-8-4-3-5-9-15)16-10-6-7-11-17(16)20;/h3-11,14H,2,12-13H2,1H3;1H/q+1;/p-1