4-[[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methylamino]methyl]benzoic acid hydrochloride

Systemtic Name: 4-[[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methylamino]methyl]benzoic acid hydrochloride Openeye Name: 4-[[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methylamino]methyl]benzoic acid hydrochloride CAS Name: 4-[[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methylamino]methyl]benzoic acid hydrochloride IUPAC Name: 4-[[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]methyl]benzoic acid hydrochloride Traditional Name: 4-[[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methylamino]methyl]benzoic acid hydrochloride Formula: C18H20ClN3O3 MolecularWeight: 361.8227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CNCC3=CC=C(C=C3)C(=O)O)N(C1=O)C.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)CNCC3=CC=C(C=C3)C(=O)O)N(C1=O)C.Cl

InChI

InChI=1S/C18H19N3O3.ClH/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);1H