diethyl-[3-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azaniumyl]propyl]azanium dichloride

Systemtic Name: diethyl-[3-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azaniumyl]propyl]azanium dichloride Openeye Name: benzyl-[3-(diethylammonio)propyl]-[2-(2-methylanilino)-2-oxo-ethyl]ammonium dichloride CAS Name: diethyl-[3-[[2-(2-methylanilino)-2-oxoethyl]-(phenylmethyl)ammonio]propyl]ammonium dichloride IUPAC Name: benzyl-[3-(diethylazaniumyl)propyl]-[2-(2-methylanilino)-2-oxoethyl]azanium dichloride Traditional Name: benzyl-[3-(diethylammonio)propyl]-[2-keto-2-(o-toluidino)ethyl]ammonium dichloride Formula: C23H35Cl2N3O MolecularWeight: 440.4495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2C.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2C.[Cl-].[Cl-]

InChI

InChI=1S/C23H33N3O.2ClH/c1-4-25(5-2)16-11-17-26(18-21-13-7-6-8-14-21)19-23(27)24-22-15-10-9-12-20(22)3;;/h6-10,12-15H,4-5,11,16-19H2,1-3H3,(H,24,27);2*1H