(3R)-1-(4-ethylphenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-ethylphenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-ethylphenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-ethylphenyl)-3-(4-ethyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-ethylphenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-ethylphenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)CC

InChI

InChI=1S/C18H25N3O2/c1-3-14-5-7-15(8-6-14)21-17(22)13-16(18(21)23)20-11-9-19(4-2)10-12-20/h5-8,16H,3-4,9-13H2,1-2H3/p+1/t16-/m1/s1