bis[2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-azanium dichloride hydrate

Systemtic Name: bis[2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-azanium dichloride hydrate Openeye Name: bis[2-(2-chloro-6-methyl-anilino)-2-oxo-ethyl]-dimethyl-ammonium dichloride hydrate CAS Name: bis[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylammonium dichloride hydrate IUPAC Name: bis[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium dichloride hydrate Traditional Name: bis[2-(2-chloro-6-methyl-anilino)-2-keto-ethyl]-dimethyl-ammonium dichloride hydrate Formula: C40H50Cl6N6O5 MolecularWeight: 907.5802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2Cl)C.CC1=C(C(=CC=C1)Cl)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2Cl)C.O.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2Cl)C.CC1=C(C(=CC=C1)Cl)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2Cl)C.O.[Cl-].[Cl-]

InChI

InChI=1S/2C20H23Cl2N3O2.2ClH.H2O/c2*1-13-7-5-9-15(21)19(13)23-17(26)11-25(3,4)12-18(27)24-20-14(2)8-6-10-16(20)22;;;/h2*5-10H,11-12H2,1-4H3,(H-,23,24,26,27);2*1H;1H2