[2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-(diethylazaniumyl)ethyl]-(phenylmethyl)azanium dichloride

Systemtic Name: [2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-(diethylazaniumyl)ethyl]-(phenylmethyl)azanium dichloride Openeye Name: benzyl-[2-(2-chloro-6-methyl-anilino)-2-oxo-ethyl]-[2-(diethylammonio)ethyl]ammonium dichloride CAS Name: [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(diethylammonio)ethyl]-(phenylmethyl)ammonium dichloride IUPAC Name: benzyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]azanium dichloride Traditional Name: benzyl-[2-(2-chloro-6-methyl-anilino)-2-keto-ethyl]-[2-(diethylammonio)ethyl]ammonium dichloride Formula: C22H32Cl3N3O MolecularWeight: 460.86798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O.2ClH/c1-4-25(5-2)14-15-26(16-19-11-7-6-8-12-19)17-21(27)24-22-18(3)10-9-13-20(22)23;;/h6-13H,4-5,14-17H2,1-3H3,(H,24,27);2*1H