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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2/c1-2-14(19)17-20-15-5-3-4-6-16(15)21(17)11-12-7-9-13(10-8-12)18(22)23/h3-10,14H,2,11,19H2,1H3,(H,22,23)/t14-/m0/s1