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

Systemtic Name: 2-[2-azanyl-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]ethanoic acid Openeye Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetic acid CAS Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]acetic acid IUPAC Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetic acid Traditional Name: 2-[2-amino-3-(2-chlorobenzyl)benzimidazol-3-ium-1-yl]acetic acid Formula: C16H15ClN3O2+ MolecularWeight: 316.7622

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O2/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)/p+1