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

Systemtic Name: 3-[[2-[(1S)-1-azaniumylethyl]-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzoate Openeye Name: 3-[[2-[(1S)-1-azaniumylethyl]-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzoate CAS Name: 3-[[2-[(1S)-1-ammonioethyl]-5,6-dimethoxy-1-benzimidazolyl]methyl]benzoate IUPAC Name: 3-[[2-[(1S)-1-azaniumylethyl]-5,6-dimethoxybenzimidazol-1-yl]methyl]benzoate Traditional Name: 3-[[2-[(1S)-1-ammonioethyl]-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzoate Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC(=C(C=C2N1CC3=CC=CC(=C3)C(=O)[O-])OC)OC)[NH3+]

Isomeric SMILES

C[C@@H](C1=NC2=CC(=C(C=C2N1CC3=CC=CC(=C3)C(=O)[O-])OC)OC)[NH3+]

InChI

InChI=1S/C19H21N3O4/c1-11(20)18-21-14-8-16(25-2)17(26-3)9-15(14)22(18)10-12-5-4-6-13(7-12)19(23)24/h4-9,11H,10,20H2,1-3H3,(H,23,24)/t11-/m0/s1