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

Systemtic Name: 3-[[2-[(1S)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]methyl]benzoate Openeye Name: 3-[[2-[(1S)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]methyl]benzoate CAS Name: 3-[[2-[(1S)-1-ammonio-3-methylbutyl]-1-benzimidazolyl]methyl]benzoate IUPAC Name: 3-[[2-[(1S)-1-azaniumyl-3-methylbutyl]benzimidazol-1-yl]methyl]benzoate Traditional Name: 3-[[2-[(1S)-1-ammonio-3-methyl-butyl]benzimidazol-1-yl]methyl]benzoate Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-13(2)10-16(21)19-22-17-8-3-4-9-18(17)23(19)12-14-6-5-7-15(11-14)20(24)25/h3-9,11,13,16H,10,12,21H2,1-2H3,(H,24,25)/t16-/m0/s1