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

Systemtic Name: 4-[[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]methyl]benzoate Openeye Name: 4-[[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-[(1S)-1-ammoniopentyl]-1-benzimidazolyl]methyl]benzoate IUPAC Name: 4-[[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-[(1S)-1-ammoniopentyl]benzimidazol-1-yl]methyl]benzoate Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-2-3-6-16(21)19-22-17-7-4-5-8-18(17)23(19)13-14-9-11-15(12-10-14)20(24)25/h4-5,7-12,16H,2-3,6,13,21H2,1H3,(H,24,25)/t16-/m0/s1