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

Systemtic Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium; ethyl sulfate Openeye Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium; ethyl sulfate CAS Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium; ethyl sulfate IUPAC Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium; ethyl sulfate Traditional Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium; ethyl sulfate Formula: C18H21NO5S MolecularWeight: 363.42804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO.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/h4-11H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1