4-[[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methylammonio]methyl]benzoate CAS Name: 4-[[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methylammonio]methyl]benzoate Formula: C18H19N3O3 MolecularWeight: 325.36176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])N(C1=O)C

InChI

InChI=1S/C18H19N3O3/c1-20-15-8-5-13(9-16(15)21(2)18(20)24)11-19-10-12-3-6-14(7-4-12)17(22)23/h3-9,19H,10-11H2,1-2H3,(H,22,23)