2-[(Z)-2-ethoxybut-1-enyl]-3-ethyl-5-methoxy-1,3-benzoxazol-3-ium; ethyl sulfate

Systemtic Name: 2-[(Z)-2-ethoxybut-1-enyl]-3-ethyl-5-methoxy-1,3-benzoxazol-3-ium; ethyl sulfate Openeye Name: 2-[(Z)-2-ethoxybut-1-enyl]-3-ethyl-5-methoxy-1,3-benzoxazol-3-ium; ethyl sulfate CAS Name: 2-[(Z)-2-ethoxybut-1-enyl]-3-ethyl-5-methoxy-1,3-benzoxazol-3-ium; ethyl sulfate IUPAC Name: 2-[(Z)-2-ethoxybut-1-enyl]-3-ethyl-5-methoxy-1,3-benzoxazol-3-ium; ethyl sulfate Traditional Name: 2-[(Z)-2-ethoxybut-1-enyl]-3-ethyl-5-methoxy-1,3-benzoxazol-3-ium; ethyl sulfate Formula: C18H27NO7S MolecularWeight: 401.47448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)OC)CC)OCC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC/C(=C/C1=[N+](C2=C(O1)C=CC(=C2)OC)CC)/OCC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C16H22NO3.C2H6O4S/c1-5-12(19-7-3)11-16-17(6-2)14-10-13(18-4)8-9-15(14)20-16;1-2-6-7(3,4)5/h8-11H,5-7H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1/b12-11-;