3-[[2-(5-azaniumylpentyl)benzimidazol-1-yl]methyl]benzoate

Systemtic Name: 3-[[2-(5-azaniumylpentyl)benzimidazol-1-yl]methyl]benzoate Openeye Name: 3-[[2-(5-azaniumylpentyl)benzimidazol-1-yl]methyl]benzoate CAS Name: 3-[[2-(5-ammoniopentyl)-1-benzimidazolyl]methyl]benzoate IUPAC Name: 3-[[2-(5-azaniumylpentyl)benzimidazol-1-yl]methyl]benzoate Traditional Name: 3-[[2-(5-ammoniopentyl)benzimidazol-1-yl]methyl]benzoate Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c21-12-5-1-2-11-19-22-17-9-3-4-10-18(17)23(19)14-15-7-6-8-16(13-15)20(24)25/h3-4,6-10,13H,1-2,5,11-12,14,21H2,(H,24,25)