hexadecyl-dimethyl-(2-oxidanyl-3-phenoxy-propyl)azanium

Systemtic Name: hexadecyl-dimethyl-(2-oxidanyl-3-phenoxy-propyl)azanium Openeye Name: hexadecyl-(2-hydroxy-3-phenoxy-propyl)-dimethyl-ammonium CAS Name: hexadecyl-(2-hydroxy-3-phenoxypropyl)-dimethylammonium IUPAC Name: hexadecyl-(2-hydroxy-3-phenoxypropyl)-dimethylazanium Traditional Name: cetyl-(2-hydroxy-3-phenoxy-propyl)-dimethyl-ammonium Formula: C27H50NO2+ MolecularWeight: 420.6914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC(COC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC(COC1=CC=CC=C1)O

InChI

InChI=1S/C27H50NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28(2,3)24-26(29)25-30-27-21-18-17-19-22-27/h17-19,21-22,26,29H,4-16,20,23-25H2,1-3H3/q+1