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

Systemtic Name: 4-[[2-(2-azaniumylethyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoate Openeye Name: 4-[[2-(2-azaniumylethyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-(2-ammonioethyl)-5,6-dimethyl-1-benzimidazolyl]methyl]benzoate IUPAC Name: 4-[[2-(2-azaniumylethyl)-5,6-dimethylbenzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-(2-ammonioethyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoate Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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