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

Systemtic Name: 3-[[2-(2-azaniumylethyl)benzimidazol-1-yl]methyl]benzoate Openeye Name: 3-[[2-(2-azaniumylethyl)benzimidazol-1-yl]methyl]benzoate CAS Name: 3-[[2-(2-ammonioethyl)-1-benzimidazolyl]methyl]benzoate IUPAC Name: 3-[[2-(2-azaniumylethyl)benzimidazol-1-yl]methyl]benzoate Traditional Name: 3-[[2-(2-ammonioethyl)benzimidazol-1-yl]methyl]benzoate Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2/c18-9-8-16-19-14-6-1-2-7-15(14)20(16)11-12-4-3-5-13(10-12)17(21)22/h1-7,10H,8-9,11,18H2,(H,21,22)