3-octadecyl-2-phenyl-1,3-oxazol-3-ium

Systemtic Name: 3-octadecyl-2-phenyl-1,3-oxazol-3-ium Openeye Name: 3-octadecyl-2-phenyl-oxazol-3-ium CAS Name: 3-octadecyl-2-phenyloxazol-3-ium IUPAC Name: 3-octadecyl-2-phenyl-1,3-oxazol-3-ium Traditional Name: 2-phenyl-3-stearyl-oxazol-3-ium Formula: C27H44NO+ MolecularWeight: 398.64436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(OC=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(OC=C1)C2=CC=CC=C2

InChI

InChI=1S/C27H44NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-24-25-29-27(28)26-21-18-17-19-22-26/h17-19,21-22,24-25H,2-16,20,23H2,1H3/q+1