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

Systemtic Name: 4-[[2-(azaniumylmethyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoate Openeye Name: 4-[[2-(azaniumylmethyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-(ammoniomethyl)-5,6-dimethyl-1-benzimidazolyl]methyl]benzoate IUPAC Name: 4-[[2-(azaniumylmethyl)-5,6-dimethylbenzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-(ammoniomethyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoate Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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