(3R)-3-(4-phenethylpiperazin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-(4-phenethylpiperazin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-phenethylpiperazin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-(4-phenethyl-1-piperazin-1-iumyl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-phenethylpiperazin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-phenethylpiperazin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-2-18-31-22-10-8-21(9-11-22)28-24(29)19-23(25(28)30)27-16-14-26(15-17-27)13-12-20-6-4-3-5-7-20/h3-11,23H,2,12-19H2,1H3/p+1/t23-/m1/s1