2-chloroethyl-ethyl-methyl-(naphthalen-1-ylmethyl)azanium; methyl sulfate

Systemtic Name: 2-chloroethyl-ethyl-methyl-(naphthalen-1-ylmethyl)azanium; methyl sulfate Openeye Name: 2-chloroethyl-ethyl-methyl-(1-naphthylmethyl)ammonium; methyl sulfate CAS Name: 2-chloroethyl-ethyl-methyl-(1-naphthalenylmethyl)ammonium; methyl sulfate IUPAC Name: 2-chloroethyl-ethyl-methyl-(naphthalen-1-ylmethyl)azanium; methyl sulfate Traditional Name: 2-chloroethyl-ethyl-methyl-(1-naphthylmethyl)ammonium; methyl sulfate Formula: C17H24ClNO4S MolecularWeight: 373.89476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CCCl)CC1=CC=CC2=CC=CC=C21.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(CCCl)CC1=CC=CC2=CC=CC=C21.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H21ClN.CH4O4S/c1-3-18(2,12-11-17)13-15-9-6-8-14-7-4-5-10-16(14)15;1-5-6(2,3)4/h4-10H,3,11-13H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1