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

Systemtic Name: 3-methyl-4-oxidanidyl-1-oxidanylidene-N-phenyl-7-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]quinoxalin-1-ium-2-carboxamide Openeye Name: 7-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-3-methyl-4-oxido-1-oxo-N-phenyl-quinoxalin-1-ium-2-carboxamide CAS Name: 3-methyl-4-oxido-1-oxo-N-phenyl-7-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-2-quinoxalin-1-iumcarboxamide IUPAC Name: 3-methyl-4-oxido-1-oxo-N-phenyl-7-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]quinoxalin-1-ium-2-carboxamide Traditional Name: 7-[[4-[(E)-cinnamyl]piperazino]methyl]-1-keto-3-methyl-4-oxido-N-phenyl-quinoxalin-1-ium-2-carboxamide Formula: C30H31N5O3 MolecularWeight: 509.59884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)CN3CCN(CC3)CC=CC4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)CN3CCN(CC3)C/C=C/C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C30H31N5O3/c1-23-29(30(36)31-26-12-6-3-7-13-26)35(38)28-21-25(14-15-27(28)34(23)37)22-33-19-17-32(18-20-33)16-8-11-24-9-4-2-5-10-24/h2-15,21H,16-20,22H2,1H3,(H,31,36)/b11-8+