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

Systemtic Name: tert-butyl 2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoate bromide Openeye Name: tert-butyl 2-(3-benzylbenzimidazol-3-ium-1-yl)acetate bromide CAS Name: 2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetic acid tert-butyl ester bromide IUPAC Name: tert-butyl 2-(3-benzylbenzimidazol-3-ium-1-yl)acetate bromide Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)acetic acid tert-butyl ester bromide Formula: C20H23BrN2O2 MolecularWeight: 403.31282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N2O2.BrH/c1-20(2,3)24-19(23)14-22-15-21(13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)22;/h4-12,15H,13-14H2,1-3H3;1H/q+1;/p-1