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

Systemtic Name: 3-[[2-[(1S)-1-azaniumylbutyl]benzimidazol-1-yl]methyl]benzoate Openeye Name: 3-[[2-[(1S)-1-azaniumylbutyl]benzimidazol-1-yl]methyl]benzoate CAS Name: 3-[[2-[(1S)-1-ammoniobutyl]-1-benzimidazolyl]methyl]benzoate IUPAC Name: 3-[[2-[(1S)-1-azaniumylbutyl]benzimidazol-1-yl]methyl]benzoate Traditional Name: 3-[[2-[(1S)-1-ammoniobutyl]benzimidazol-1-yl]methyl]benzoate Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2/c1-2-6-15(20)18-21-16-9-3-4-10-17(16)22(18)12-13-7-5-8-14(11-13)19(23)24/h3-5,7-11,15H,2,6,12,20H2,1H3,(H,23,24)/t15-/m0/s1