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

Systemtic Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium; propyl sulfate Openeye Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium; propyl sulfate CAS Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium; propyl sulfate IUPAC Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium; propyl sulfate Traditional Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium; propyl sulfate Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO.C3H8O4S/c1-3-17-12(2)18-16-10-9-14(11-15(16)17)13-7-5-4-6-8-13;1-2-3-7-8(4,5)6/h4-11H,3H2,1-2H3;2-3H2,1H3,(H,4,5,6)/q+1;/p-1