2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoic acid bromide

Systemtic Name: 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoic acid bromide Openeye Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)acetic acid bromide CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetic acid bromide IUPAC Name: 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)acetic acid bromide Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)acetic acid bromide Formula: C16H16BrN3O2 MolecularWeight: 362.22114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)O)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)O)N.[Br-]

InChI

InChI=1S/C16H15N3O2.BrH/c17-16-18(10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)19(16)11-15(20)21;/h1-9,17H,10-11H2,(H,20,21);1H