(3R)-1-(2,5-dimethylphenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(2,5-dimethylphenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3R)-1-(2,5-dimethylphenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3R)-1-(2,5-dimethylphenyl)-3-(1-piperazin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(2,5-dimethylphenyl)-3-piperazin-4-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3R)-1-(2,5-dimethylphenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-quinone Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CC(C2=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C[C@H](C2=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H21N3O2/c1-11-3-4-12(2)13(9-11)19-15(20)10-14(16(19)21)18-7-5-17-6-8-18/h3-4,9,14,17H,5-8,10H2,1-2H3/p+1/t14-/m1/s1