2-chloroethyl-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-(phenylmethyl)azanium chloride

Systemtic Name: 2-chloroethyl-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-(2-chloroethyl)-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]ammonium chloride CAS Name: 2-chloroethyl-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(2-chloroethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium chloride Traditional Name: benzyl-(2-chloroethyl)-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]ammonium chloride Formula: C21H29Cl2NO MolecularWeight: 382.36706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC[NH+](CCCl)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC[NH+](CCCl)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C21H28ClNO.ClH/c1-17(2)20-10-9-18(3)15-21(20)24-14-13-23(12-11-22)16-19-7-5-4-6-8-19;/h4-10,15,17H,11-14,16H2,1-3H3;1H