2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]ethanoic acid bromide

Systemtic Name: 2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]ethanoic acid bromide Openeye Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetic acid bromide CAS Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]acetic acid bromide IUPAC Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetic acid bromide Traditional Name: 2-[2-amino-3-(4-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=C2C(=C1)N(C(=[N+]2CC3=CC=C(C=C3)Cl)N)CC(=O)O.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=[N+]2CC3=CC=C(C=C3)Cl)N)CC(=O)O.[Br-]

InChI

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