3-[[2-(azaniumylmethyl)-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzoate

Systemtic Name: 3-[[2-(azaniumylmethyl)-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzoate Openeye Name: 3-[[2-(azaniumylmethyl)-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzoate CAS Name: 3-[[2-(ammoniomethyl)-5,6-dimethoxy-1-benzimidazolyl]methyl]benzoate IUPAC Name: 3-[[2-(azaniumylmethyl)-5,6-dimethoxybenzimidazol-1-yl]methyl]benzoate Traditional Name: 3-[[2-(ammoniomethyl)-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzoate Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CC3=CC=CC(=C3)C(=O)[O-])C[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CC3=CC=CC(=C3)C(=O)[O-])C[NH3+])OC

InChI

InChI=1S/C18H19N3O4/c1-24-15-7-13-14(8-16(15)25-2)21(17(9-19)20-13)10-11-4-3-5-12(6-11)18(22)23/h3-8H,9-10,19H2,1-2H3,(H,22,23)