2-[2-[(E)-2-(4-octadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol

Systemtic Name: 2-[2-[(E)-2-(4-octadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol Openeye Name: 2-[2-[(E)-2-(4-octadecoxyphenyl)vinyl]-4,5-dihydrooxazol-3-ium-3-yl]ethanol CAS Name: 2-[2-[(E)-2-(4-octadecoxyphenyl)ethenyl]-4,5-dihydrooxazol-3-ium-3-yl]ethanol IUPAC Name: 2-[2-[(E)-2-(4-octadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol Traditional Name: 2-[2-[(E)-2-(4-stearyloxyphenyl)vinyl]-2-oxazolin-3-ium-3-yl]ethanol Formula: C31H52NO3+ MolecularWeight: 486.74948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)/C=C/C2=[N+](CCO2)CCO

InChI

InChI=1S/C31H52NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-34-30-21-18-29(19-22-30)20-23-31-32(24-26-33)25-28-35-31/h18-23,33H,2-17,24-28H2,1H3/q+1/b23-20+