3-(4-decoxyphenyl)-4-oxidanidyl-1-prop-2-enoxy-quinoxalin-4-ium-2-one

Systemtic Name: 3-(4-decoxyphenyl)-4-oxidanidyl-1-prop-2-enoxy-quinoxalin-4-ium-2-one Openeye Name: 1-allyloxy-3-(4-decoxyphenyl)-4-oxido-quinoxalin-4-ium-2-one CAS Name: 3-(4-decoxyphenyl)-4-oxido-1-prop-2-enoxy-2-quinoxalin-4-iumone IUPAC Name: 3-(4-decoxyphenyl)-4-oxido-1-prop-2-enoxyquinoxalin-4-ium-2-one Traditional Name: 1-allyloxy-3-(4-decoxyphenyl)-4-oxido-quinoxalin-4-ium-2-one Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC=C)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC=C)[O-]

InChI

InChI=1S/C27H34N2O4/c1-3-5-6-7-8-9-10-13-21-32-23-18-16-22(17-19-23)26-27(30)29(33-20-4-2)25-15-12-11-14-24(25)28(26)31/h4,11-12,14-19H,2-3,5-10,13,20-21H2,1H3