bis[2-[(E)-heptadec-8-enoxy]ethyl]-methyl-(phenylmethyl)azanium chloride

Systemtic Name: bis[2-[(E)-heptadec-8-enoxy]ethyl]-methyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-bis[2-[(E)-heptadec-8-enoxy]ethyl]-methyl-ammonium chloride CAS Name: bis[2-[(E)-heptadec-8-enoxy]ethyl]-methyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-bis[2-[(E)-heptadec-8-enoxy]ethyl]-methylazanium chloride Traditional Name: benzyl-bis[2-[(E)-heptadec-8-enoxy]ethyl]-methyl-ammonium chloride Formula: C46H84ClNO2 MolecularWeight: 718.61766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCOCC[N+](C)(CCOCCCCCCCC=CCCCCCCCC)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCOCC[N+](CC1=CC=CC=C1)(CCOCCCCCCC/C=C/CCCCCCCC)C.[Cl-]

InChI

InChI=1S/C46H84NO2.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35-41-48-43-39-47(3,45-46-37-33-32-34-38-46)40-44-49-42-36-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h18-21,32-34,37-38H,4-17,22-31,35-36,39-45H2,1-3H3;1H/q+1;/p-1/b20-18+,21-19+;