bis[2-[(2,6-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-azanium dichloride hydrate

Systemtic Name: bis[2-[(2,6-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-azanium dichloride hydrate Openeye Name: bis[2-(2,6-dimethoxyanilino)-2-oxo-ethyl]-dimethyl-ammonium dichloride hydrate CAS Name: bis[2-(2,6-dimethoxyanilino)-2-oxoethyl]-dimethylammonium dichloride hydrate IUPAC Name: bis[2-(2,6-dimethoxyanilino)-2-oxoethyl]-dimethylazanium dichloride hydrate Traditional Name: bis[2-(2,6-dimethoxyanilino)-2-keto-ethyl]-dimethyl-ammonium dichloride hydrate Formula: C44H62Cl2N6O13 MolecularWeight: 953.90148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(=O)NC1=C(C=CC=C1OC)OC)CC(=O)NC2=C(C=CC=C2OC)OC.C[N+](C)(CC(=O)NC1=C(C=CC=C1OC)OC)CC(=O)NC2=C(C=CC=C2OC)OC.O.[Cl-].[Cl-]

Isomeric SMILES

C[N+](C)(CC(=O)NC1=C(C=CC=C1OC)OC)CC(=O)NC2=C(C=CC=C2OC)OC.C[N+](C)(CC(=O)NC1=C(C=CC=C1OC)OC)CC(=O)NC2=C(C=CC=C2OC)OC.O.[Cl-].[Cl-]

InChI

InChI=1S/2C22H29N3O6.2ClH.H2O/c2*1-25(2,13-19(26)23-21-15(28-3)9-7-10-16(21)29-4)14-20(27)24-22-17(30-5)11-8-12-18(22)31-6;;;/h2*7-12H,13-14H2,1-6H3,(H-,23,24,26,27);2*1H;1H2