hexadecyl-methyl-octadecan-2-yl-oxidanyl-azanium

Systemtic Name: hexadecyl-methyl-octadecan-2-yl-oxidanyl-azanium Openeye Name: hexadecyl-hydroxy-methyl-(1-methylheptadecyl)ammonium CAS Name: hexadecyl-hydroxy-methyl-octadecan-2-ylammonium IUPAC Name: hexadecyl-hydroxy-methyl-octadecan-2-ylazanium Traditional Name: cetyl-hydroxy-methyl-(1-methylheptadecyl)ammonium Formula: C35H74NO+ MolecularWeight: 524.96816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)[N+](C)(CCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)[N+](C)(CCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C35H74NO/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3)36(4,37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35,37H,5-34H2,1-4H3/q+1