2-chloroethyl-ethyl-methyl-(phenylmethyl)azanium; methyl sulfate

Systemtic Name: 2-chloroethyl-ethyl-methyl-(phenylmethyl)azanium; methyl sulfate Openeye Name: benzyl-(2-chloroethyl)-ethyl-methyl-ammonium; methyl sulfate CAS Name: 2-chloroethyl-ethyl-methyl-(phenylmethyl)ammonium; methyl sulfate IUPAC Name: benzyl-(2-chloroethyl)-ethyl-methylazanium; methyl sulfate Traditional Name: benzyl-(2-chloroethyl)-ethyl-methyl-ammonium; methyl sulfate Formula: C13H22ClNO4S MolecularWeight: 323.83608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CCCl)CC1=CC=CC=C1.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(CCCl)CC1=CC=CC=C1.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H19ClN.CH4O4S/c1-3-14(2,10-9-13)11-12-7-5-4-6-8-12;1-5-6(2,3)4/h4-8H,3,9-11H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1