3-ethyl-2-methyl-5-phenyl-2H-1,3-benzoxazol-1-ium; ethyl sulfate

Systemtic Name: 3-ethyl-2-methyl-5-phenyl-2H-1,3-benzoxazol-1-ium; ethyl sulfate Openeye Name: 3-ethyl-2-methyl-5-phenyl-2H-1,3-benzoxazol-1-ium; ethyl sulfate CAS Name: 3-ethyl-2-methyl-5-phenyl-2H-1,3-benzoxazol-1-ium; ethyl sulfate IUPAC Name: 3-ethyl-2-methyl-5-phenyl-2H-1,3-benzoxazol-1-ium; ethyl sulfate Traditional Name: 3-ethyl-2-methyl-5-phenyl-2H-1,3-benzoxazol-1-ium; ethyl sulfate Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C([OH+]C2=C1C=C(C=C2)C3=CC=CC=C3)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCN1C([OH+]C2=C1C=C(C=C2)C3=CC=CC=C3)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C16H17NO.C2H6O4S/c1-3-17-12(2)18-16-10-9-14(11-15(16)17)13-7-5-4-6-8-13;1-2-6-7(3,4)5/h4-12H,3H2,1-2H3;2H2,1H3,(H,3,4,5)