2-chloroethyl-(phenylmethyl)-[1-(2-propan-2-ylphenoxy)propan-2-yl]azanium chloride

Systemtic Name: 2-chloroethyl-(phenylmethyl)-[1-(2-propan-2-ylphenoxy)propan-2-yl]azanium chloride Openeye Name: benzyl-(2-chloroethyl)-[2-(2-isopropylphenoxy)-1-methyl-ethyl]ammonium chloride CAS Name: 2-chloroethyl-(phenylmethyl)-[1-(2-propan-2-ylphenoxy)propan-2-yl]ammonium chloride IUPAC Name: benzyl-(2-chloroethyl)-[1-(2-propan-2-ylphenoxy)propan-2-yl]azanium chloride Traditional Name: benzyl-(2-chloroethyl)-[2-(2-isopropylphenoxy)-1-methyl-ethyl]ammonium chloride Formula: C21H29Cl2NO MolecularWeight: 382.36706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C)[NH+](CCCl)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(C)[NH+](CCCl)CC2=CC=CC=C2.[Cl-]

InChI

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