4-[[2-[(1S)-1-azaniumylethyl]benzimidazol-1-yl]methyl]benzoate

Systemtic Name: 4-[[2-[(1S)-1-azaniumylethyl]benzimidazol-1-yl]methyl]benzoate Openeye Name: 4-[[2-[(1S)-1-azaniumylethyl]benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-[(1S)-1-ammonioethyl]-1-benzimidazolyl]methyl]benzoate IUPAC Name: 4-[[2-[(1S)-1-azaniumylethyl]benzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-[(1S)-1-ammonioethyl]benzimidazol-1-yl]methyl]benzoate Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)[O-])[NH3+]

InChI

InChI=1S/C17H17N3O2/c1-11(18)16-19-14-4-2-3-5-15(14)20(16)10-12-6-8-13(9-7-12)17(21)22/h2-9,11H,10,18H2,1H3,(H,21,22)/t11-/m0/s1