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

Systemtic Name: 2-[2-[(E)-2-(4-octoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanolate Openeye Name: 2-[2-[(E)-2-(4-octoxyphenyl)vinyl]-4,5-dihydrooxazol-3-ium-3-yl]ethanolate CAS Name: 2-[2-[(E)-2-(4-octoxyphenyl)ethenyl]-4,5-dihydrooxazol-3-ium-3-yl]ethanolate IUPAC Name: 2-[2-[(E)-2-(4-octoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanolate Traditional Name: 2-[2-[(E)-2-(4-octoxyphenyl)vinyl]-2-oxazolin-3-ium-3-yl]ethanolate Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CC[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C/C2=[N+](CCO2)CC[O-]

InChI

InChI=1S/C21H31NO3/c1-2-3-4-5-6-7-17-24-20-11-8-19(9-12-20)10-13-21-22(14-16-23)15-18-25-21/h8-13H,2-7,14-18H2,1H3/b13-10+