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

Systemtic Name: N-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline; ethyl sulfate Openeye Name: N-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)vinyl]aniline; ethyl sulfate CAS Name: N-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline; ethyl sulfate IUPAC Name: N-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline; ethyl sulfate Traditional Name: [(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-phenyl-amine; ethyl sulfate Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=CC=CC=C21)C=CNC3=CC=CC=C3.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(OC2=CC=CC=C21)/C=C/NC3=CC=CC=C3.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C17H16N2O.C2H6O4S/c1-2-19-15-10-6-7-11-16(15)20-17(19)12-13-18-14-8-4-3-5-9-14;1-2-6-7(3,4)5/h3-13H,2H2,1H3;2H2,1H3,(H,3,4,5)