2-[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[4-(ammoniomethyl)phenyl]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[4-(ammoniomethyl)phenyl]benzimidazol-1-yl]acetate Formula: C16H15N3O2 MolecularWeight: 281.3092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC(=O)[O-])C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC(=O)[O-])C3=CC=C(C=C3)C[NH3+]

InChI

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