2-(3-methylimidazol-3-ium-1-yl)-N-[3-[2-(3-methylimidazol-3-ium-1-yl)ethanoylamino]-2-oxidanyl-phenyl]ethanamide dichloride

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)-N-[3-[2-(3-methylimidazol-3-ium-1-yl)ethanoylamino]-2-oxidanyl-phenyl]ethanamide dichloride Openeye Name: N-[2-hydroxy-3-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]phenyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide dichloride CAS Name: N-[2-hydroxy-3-[[2-(3-methyl-1-imidazol-3-iumyl)-1-oxoethyl]amino]phenyl]-2-(3-methyl-1-imidazol-3-iumyl)acetamide dichloride IUPAC Name: N-[2-hydroxy-3-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]phenyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide dichloride Traditional Name: N-[2-hydroxy-3-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]phenyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide dichloride Formula: C18H22Cl2N6O3 MolecularWeight: 441.31168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)NC2=C(C(=CC=C2)NC(=O)CN3C=C[N+](=C3)C)O.[Cl-].[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)NC2=C(C(=CC=C2)NC(=O)CN3C=C[N+](=C3)C)O.[Cl-].[Cl-]

InChI

InChI=1S/C18H20N6O3.2ClH/c1-21-6-8-23(12-21)10-16(25)19-14-4-3-5-15(18(14)27)20-17(26)11-24-9-7-22(2)13-24;;/h3-9,12-13H,10-11H2,1-2H3,(H-2,19,20,25,26,27);2*1H