3-nitro-1-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinolin-2-one

Systemtic Name: 3-nitro-1-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinolin-2-one Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-nitro-1-phenyl-quinolin-2-one CAS Name: 3-nitro-1-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-quinolinone IUPAC Name: 3-nitro-1-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinolin-2-one Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-nitro-1-phenyl-carbostyril Formula: C28H27N4O3+ MolecularWeight: 467.53898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=C(C(=O)N(C4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=C(C(=O)N(C4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H26N4O3/c33-28-27(32(34)35)26(24-15-7-8-16-25(24)31(28)23-13-5-2-6-14-23)30-20-18-29(19-21-30)17-9-12-22-10-3-1-4-11-22/h1-16H,17-21H2/p+1/b12-9+