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

Systemtic Name: 4-[[1-[2-(2-chloranylphenoxy)ethyl]benzimidazol-2-yl]methylazaniumyl]benzoate Openeye Name: 4-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methylammonio]benzoate CAS Name: 4-[[1-[2-(2-chlorophenoxy)ethyl]-2-benzimidazolyl]methylammonio]benzoate IUPAC Name: 4-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methylazaniumyl]benzoate Traditional Name: 4-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methylammonio]benzoate Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCOC3=CC=CC=C3Cl)C[NH2+]C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCOC3=CC=CC=C3Cl)C[NH2+]C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C23H20ClN3O3/c24-18-5-1-4-8-21(18)30-14-13-27-20-7-3-2-6-19(20)26-22(27)15-25-17-11-9-16(10-12-17)23(28)29/h1-12,25H,13-15H2,(H,28,29)