ethyl 1-oxidanidyl-4-oxidanylidene-3-phenyl-7-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]quinoxalin-4-ium-2-carboxylate

Systemtic Name: ethyl 1-oxidanidyl-4-oxidanylidene-3-phenyl-7-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]quinoxalin-4-ium-2-carboxylate Openeye Name: ethyl 7-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-1-oxido-4-oxo-3-phenyl-quinoxalin-4-ium-2-carboxylate CAS Name: 1-oxido-4-oxo-3-phenyl-7-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-2-quinoxalin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-oxido-4-oxo-3-phenyl-7-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]quinoxalin-4-ium-2-carboxylate Traditional Name: 7-[[4-[(E)-cinnamyl]piperazino]methyl]-4-keto-1-oxido-3-phenyl-quinoxalin-4-ium-2-carboxylic acid ethyl ester Formula: C31H32N4O4 MolecularWeight: 524.61018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)CN3CCN(CC3)CC=CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)CN3CCN(CC3)C/C=C/C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H32N4O4/c1-2-39-31(36)30-29(26-13-7-4-8-14-26)34(37)27-16-15-25(22-28(27)35(30)38)23-33-20-18-32(19-21-33)17-9-12-24-10-5-3-6-11-24/h3-16,22H,2,17-21,23H2,1H3/b12-9+