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

Systemtic Name: (3S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-1-(p-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-ethyl-1-piperazine-1,4-diiumyl)-1-(4-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-1-(p-tolyl)pyrrolidine-2,5-quinone Formula: C17H25N3O2+2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2/c1-3-18-8-10-19(11-9-18)15-12-16(21)20(17(15)22)14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3/p+2/t15-/m0/s1