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

Systemtic Name: 2-[2-azanyl-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]ethanoic acid bromide Openeye Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetic acid bromide CAS Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]acetic acid bromide IUPAC Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetic acid bromide Traditional Name: 2-[2-amino-3-(2-chlorobenzyl)benzimidazol-3-ium-1-yl]acetic acid bromide Formula: C16H15BrClN3O2 MolecularWeight: 396.6662

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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)Cl.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O2.BrH/c17-12-6-2-1-5-11(12)9-19-13-7-3-4-8-14(13)20(16(19)18)10-15(21)22;/h1-8,18H,9-10H2,(H,21,22);1H