1-(4-ethoxyphenyl)-3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: 1-(4-ethoxyphenyl)-3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: 1-(4-ethoxyphenyl)-3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: 1-(4-ethoxyphenyl)-3-(1-methyl-4-phenyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: 1-(4-ethoxyphenyl)-3-(1-methyl-4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: 3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[N+]3(CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[N+]3(CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H28N3O3/c1-3-29-20-11-9-19(10-12-20)25-22(27)17-21(23(25)28)26(2)15-13-24(14-16-26)18-7-5-4-6-8-18/h4-12,21H,3,13-17H2,1-2H3/q+1