dimethyl-(octadecoxymethyl)-[2-(phenylcarbonyloxy)ethyl]azanium chloride

Systemtic Name: dimethyl-(octadecoxymethyl)-[2-(phenylcarbonyloxy)ethyl]azanium chloride Openeye Name: 2-benzoyloxyethyl-dimethyl-(octadecoxymethyl)ammonium chloride CAS Name: 2-benzoyloxyethyl-dimethyl-(octadecoxymethyl)ammonium chloride IUPAC Name: 2-benzoyloxyethyl-dimethyl-(octadecoxymethyl)azanium chloride Traditional Name: 2-benzoyloxyethyl-dimethyl-(stearyloxymethyl)ammonium chloride Formula: C30H54ClNO3 MolecularWeight: 512.20766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C30H54NO3.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-33-28-31(2,3)25-27-34-30(32)29-23-20-19-21-24-29;/h19-21,23-24H,4-18,22,25-28H2,1-3H3;1H/q+1;/p-1