4-[[2-(3-azaniumylpropyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoate

Systemtic Name: 4-[[2-(3-azaniumylpropyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoate Openeye Name: 4-[[2-(3-azaniumylpropyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-(3-ammoniopropyl)-5,6-dimethyl-1-benzimidazolyl]methyl]benzoate IUPAC Name: 4-[[2-(3-azaniumylpropyl)-5,6-dimethylbenzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-(3-ammoniopropyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoate Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CCC[NH3+])CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CCC[NH3+])CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H23N3O2/c1-13-10-17-18(11-14(13)2)23(19(22-17)4-3-9-21)12-15-5-7-16(8-6-15)20(24)25/h5-8,10-11H,3-4,9,12,21H2,1-2H3,(H,24,25)