2-chloroethyl-(1-phenoxypropan-2-yl)-(phenylmethyl)azanium chloride

Systemtic Name: 2-chloroethyl-(1-phenoxypropan-2-yl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-(2-chloroethyl)-(1-methyl-2-phenoxy-ethyl)ammonium chloride CAS Name: 2-chloroethyl-(1-phenoxypropan-2-yl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(2-chloroethyl)-(1-phenoxypropan-2-yl)azanium chloride Traditional Name: benzyl-(2-chloroethyl)-(1-methyl-2-phenoxy-ethyl)ammonium chloride Formula: C18H23Cl2NO MolecularWeight: 340.28732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)[NH+](CCCl)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(COC1=CC=CC=C1)[NH+](CCCl)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H