2-[[2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-octyl-amino]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[[2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-octyl-amino]ethyl-diethyl-azanium chloride Openeye Name: 2-[[2-(2-chloro-6-methyl-anilino)-2-oxo-ethyl]-octyl-amino]ethyl-diethyl-ammonium chloride CAS Name: 2-[[2-(2-chloro-6-methylanilino)-2-oxoethyl]-octylamino]ethyl-diethylammonium chloride IUPAC Name: 2-[[2-(2-chloro-6-methylanilino)-2-oxoethyl]-octylamino]ethyl-diethylazanium chloride Traditional Name: 2-[[2-(2-chloro-6-methyl-anilino)-2-keto-ethyl]-octyl-amino]ethyl-diethyl-ammonium chloride Formula: C23H41Cl2N3O MolecularWeight: 446.49714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC[NH+](CC)CC)CC(=O)NC1=C(C=CC=C1Cl)C.[Cl-]

Isomeric SMILES

CCCCCCCCN(CC[NH+](CC)CC)CC(=O)NC1=C(C=CC=C1Cl)C.[Cl-]

InChI

InChI=1S/C23H40ClN3O.ClH/c1-5-8-9-10-11-12-16-27(18-17-26(6-2)7-3)19-22(28)25-23-20(4)14-13-15-21(23)24;/h13-15H,5-12,16-19H2,1-4H3,(H,25,28);1H