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

Systemtic Name: 4-[[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]methyl]benzoate Openeye Name: 4-[[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-[4-(ammoniomethyl)phenyl]-1-benzimidazolyl]methyl]benzoate IUPAC Name: 4-[[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-[4-(ammoniomethyl)phenyl]benzimidazol-1-yl]methyl]benzoate Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)C[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)C[NH3+]

InChI

InChI=1S/C22H19N3O2/c23-13-15-5-9-17(10-6-15)21-24-19-3-1-2-4-20(19)25(21)14-16-7-11-18(12-8-16)22(26)27/h1-12H,13-14,23H2,(H,26,27)