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

Systemtic Name: 2-[2-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol Openeye Name: 2-[2-[(E)-2-(4-hexadecoxyphenyl)vinyl]-4,5-dihydrooxazol-3-ium-3-yl]ethanol CAS Name: 2-[2-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-4,5-dihydrooxazol-3-ium-3-yl]ethanol IUPAC Name: 2-[2-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol Traditional Name: 2-[2-[(E)-2-(4-cetyloxyphenyl)vinyl]-2-oxazolin-3-ium-3-yl]ethanol Formula: C29H48NO3+ MolecularWeight: 458.69632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)/C=C/C2=[N+](CCO2)CCO

InChI

InChI=1S/C29H48NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32-28-19-16-27(17-20-28)18-21-29-30(22-24-31)23-26-33-29/h16-21,31H,2-15,22-26H2,1H3/q+1/b21-18+