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

Systemtic Name: methyl 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoate bromide Openeye Name: methyl 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)acetate bromide CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)acetate bromide Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)acetic acid methyl ester bromide Formula: C17H18BrN3O2 MolecularWeight: 376.24772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H17N3O2.BrH/c1-22-16(21)12-20-15-10-6-5-9-14(15)19(17(20)18)11-13-7-3-2-4-8-13;/h2-10,18H,11-12H2,1H3;1H