(3S)-1-(4-dimethylaminophenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-dimethylaminophenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-dimethylaminophenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-dimethylaminophenyl)-3-(4-methyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-dimethylaminophenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-dimethylaminophenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CN1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C17H24N4O2/c1-18(2)13-4-6-14(7-5-13)21-16(22)12-15(17(21)23)20-10-8-19(3)9-11-20/h4-7,15H,8-12H2,1-3H3/p+1/t15-/m0/s1