N-[(E)-2-(3-ethyl-5-fluoranyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-methyl-aniline; ethyl sulfate

Systemtic Name: N-[(E)-2-(3-ethyl-5-fluoranyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-methyl-aniline; ethyl sulfate Openeye Name: N-[(E)-2-(3-ethyl-5-fluoro-1,3-benzoxazol-3-ium-2-yl)vinyl]-N-methyl-aniline; ethyl sulfate CAS Name: N-[(E)-2-(3-ethyl-5-fluoro-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-methylaniline; ethyl sulfate IUPAC Name: N-[(E)-2-(3-ethyl-5-fluoro-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-methylaniline; ethyl sulfate Traditional Name: [(E)-2-(3-ethyl-5-fluoro-1,3-benzoxazol-3-ium-2-yl)vinyl]-methyl-phenyl-amine; ethyl sulfate Formula: C20H23FN2O5S MolecularWeight: 422.470423

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C=C2)F)C=CN(C)C3=CC=CC=C3.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C=C2)F)/C=C/N(C)C3=CC=CC=C3.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C18H18FN2O.C2H6O4S/c1-3-21-16-13-14(19)9-10-17(16)22-18(21)11-12-20(2)15-7-5-4-6-8-15;1-2-6-7(3,4)5/h4-13H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1