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

Systemtic Name: N-[(E)-2-(1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline; methyl sulfate Openeye Name: N-[(E)-2-(1,3-benzoxazol-3-ium-2-yl)vinyl]aniline; methyl sulfate CAS Name: N-[(E)-2-(1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline; methyl sulfate IUPAC Name: N-[(E)-2-(1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline; methyl sulfate Traditional Name: [(E)-2-(1,3-benzoxazol-3-ium-2-yl)vinyl]-phenyl-amine; methyl sulfate Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C1=CC=C(C=C1)NC=CC2=[NH+]C3=CC=CC=C3O2

Isomeric SMILES

COS(=O)(=O)[O-].C1=CC=C(C=C1)N/C=C/C2=[NH+]C3=CC=CC=C3O2

InChI

InChI=1S/C15H12N2O.CH4O4S/c1-2-6-12(7-3-1)16-11-10-15-17-13-8-4-5-9-14(13)18-15;1-5-6(2,3)4/h1-11,16H;1H3,(H,2,3,4)/b11-10+;