2-[(4-carbamimidoylphenyl)amino]-2-(2,6-dimethoxypyridin-4-yl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(2,6-dimethoxypyridin-4-yl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(2,6-dimethoxy-4-pyridyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(2,6-dimethoxy-4-pyridinyl)acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(2,6-dimethoxypyridin-4-yl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(2,6-dimethoxy-4-pyridyl)acetate hydrochloride Formula: C16H18ClN4O4- MolecularWeight: 365.79152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=N1)OC)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

COC1=CC(=CC(=N1)OC)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C16H18N4O4.ClH/c1-23-12-7-10(8-13(20-12)24-2)14(16(21)22)19-11-5-3-9(4-6-11)15(17)18;/h3-8,14,19H,1-2H3,(H3,17,18)(H,21,22);1H/p-1