(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c1-2-16-29-20-10-8-19(9-11-20)26-22(27)17-21(23(26)28)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3/p+1/t21-/m0/s1