(3S)-1-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-cyclopropyl-3-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C3CC(=O)N(C3=O)C4CC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)C4CC4)C

InChI

InChI=1S/C19H25N3O2/c1-13-4-3-5-16(14(13)2)20-8-10-21(11-9-20)17-12-18(23)22(19(17)24)15-6-7-15/h3-5,15,17H,6-12H2,1-2H3/p+1/t17-/m0/s1