4-[[1-(phenylmethyl)benzimidazol-2-yl]methylazaniumyl]benzoate

Systemtic Name: 4-[[1-(phenylmethyl)benzimidazol-2-yl]methylazaniumyl]benzoate Openeye Name: 4-[(1-benzylbenzimidazol-2-yl)methylammonio]benzoate CAS Name: 4-[[1-(phenylmethyl)-2-benzimidazolyl]methylammonio]benzoate IUPAC Name: 4-[(1-benzylbenzimidazol-2-yl)methylazaniumyl]benzoate Traditional Name: 4-[(1-benzylbenzimidazol-2-yl)methylammonio]benzoate Formula: C22H19N3O2 MolecularWeight: 357.40516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C[NH2+]C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C[NH2+]C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H19N3O2/c26-22(27)17-10-12-18(13-11-17)23-14-21-24-19-8-4-5-9-20(19)25(21)15-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,26,27)