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

Systemtic Name: 3-[[5,6-dimethyl-2-[2-(methylazaniumyl)ethyl]benzimidazol-1-yl]methyl]benzoate Openeye Name: 3-[[5,6-dimethyl-2-[2-(methylammonio)ethyl]benzimidazol-1-yl]methyl]benzoate CAS Name: 3-[[5,6-dimethyl-2-[2-(methylammonio)ethyl]-1-benzimidazolyl]methyl]benzoate IUPAC Name: 3-[[5,6-dimethyl-2-[2-(methylazaniumyl)ethyl]benzimidazol-1-yl]methyl]benzoate Traditional Name: 3-[[5,6-dimethyl-2-[2-(methylammonio)ethyl]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)CC[NH2+]C)CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CC[NH2+]C)CC3=CC=CC(=C3)C(=O)[O-]

InChI

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