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

Systemtic Name: N-[(E)-2-(3-ethyl-5-methoxy-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline; ethyl sulfate Openeye Name: N-[(E)-2-(3-ethyl-5-methoxy-1,3-benzoxazol-3-ium-2-yl)vinyl]aniline; ethyl sulfate CAS Name: N-[(E)-2-(3-ethyl-5-methoxy-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline; ethyl sulfate IUPAC Name: N-[(E)-2-(3-ethyl-5-methoxy-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline; ethyl sulfate Traditional Name: [(E)-2-(3-ethyl-5-methoxy-1,3-benzoxazol-3-ium-2-yl)vinyl]-phenyl-amine; ethyl sulfate Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C=C2)OC)C=CNC3=CC=CC=C3.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C=C2)OC)/C=C/NC3=CC=CC=C3.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C18H18N2O2.C2H6O4S/c1-3-20-16-13-15(21-2)9-10-17(16)22-18(20)11-12-19-14-7-5-4-6-8-14;1-2-6-7(3,4)5/h4-13H,3H2,1-2H3;2H2,1H3,(H,3,4,5)