(3S)-3-(4-ethylpiperazin-4-ium-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-(4-ethylpiperazin-4-ium-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-ethylpiperazin-4-ium-1-yl)-1-(p-tolylmethyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-ethyl-1-piperazin-4-iumyl)-1-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-ethylpiperazin-4-ium-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-ethylpiperazin-4-ium-1-yl)-1-(4-methylbenzyl)pyrrolidine-2,5-quinone Formula: C18H26N3O2+ MolecularWeight: 316.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2CC(=O)N(C2=O)CC3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H]2CC(=O)N(C2=O)CC3=CC=C(C=C3)C

InChI

InChI=1S/C18H25N3O2/c1-3-19-8-10-20(11-9-19)16-12-17(22)21(18(16)23)13-15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3/p+1/t16-/m0/s1