4-[[2-(3-azaniumylpropyl)benzimidazol-1-yl]methyl]benzoate

Systemtic Name: 4-[[2-(3-azaniumylpropyl)benzimidazol-1-yl]methyl]benzoate Openeye Name: 4-[[2-(3-azaniumylpropyl)benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-(3-ammoniopropyl)-1-benzimidazolyl]methyl]benzoate IUPAC Name: 4-[[2-(3-azaniumylpropyl)benzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-(3-ammoniopropyl)benzimidazol-1-yl]methyl]benzoate Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2/c19-11-3-6-17-20-15-4-1-2-5-16(15)21(17)12-13-7-9-14(10-8-13)18(22)23/h1-2,4-5,7-10H,3,6,11-12,19H2,(H,22,23)