(3S)-1-(4-butoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-butoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-butoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-butoxyphenyl)-3-(4-ethyl-1-piperazine-1,4-diiumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-butoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-butoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-quinone Formula: C20H31N3O3+2 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CC[NH+](CC3)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CC[NH+](CC3)CC

InChI

InChI=1S/C20H29N3O3/c1-3-5-14-26-17-8-6-16(7-9-17)23-19(24)15-18(20(23)25)22-12-10-21(4-2)11-13-22/h6-9,18H,3-5,10-15H2,1-2H3/p+2/t18-/m0/s1