N-[(Z)-2-(3-methyl-4,5-dihydro-1,3-oxazol-3-ium-2-yl)ethenyl]aniline; methyl sulfate

Systemtic Name: N-[(Z)-2-(3-methyl-4,5-dihydro-1,3-oxazol-3-ium-2-yl)ethenyl]aniline; methyl sulfate Openeye Name: N-[(Z)-2-(3-methyl-4,5-dihydrooxazol-3-ium-2-yl)vinyl]aniline; methyl sulfate CAS Name: N-[(Z)-2-(3-methyl-4,5-dihydrooxazol-3-ium-2-yl)ethenyl]aniline; methyl sulfate IUPAC Name: N-[(Z)-2-(3-methyl-4,5-dihydro-1,3-oxazol-3-ium-2-yl)ethenyl]aniline; methyl sulfate Traditional Name: [(Z)-2-(3-methyl-2-oxazolin-3-ium-2-yl)vinyl]-phenyl-amine; methyl sulfate Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OCC1)C=CNC2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(OCC1)/C=C\NC2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H14N2O.CH4O4S/c1-14-9-10-15-12(14)7-8-13-11-5-3-2-4-6-11;1-5-6(2,3)4/h2-8H,9-10H2,1H3;1H3,(H,2,3,4)