(3R)-1-(3-chloranyl-4-methyl-phenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(3-chloranyl-4-methyl-phenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(3-chloro-4-methyl-phenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-chloro-4-methylphenyl)-3-(4-methyl-1-piperazine-1,4-diiumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-chloro-4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(3-chloro-4-methyl-phenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-quinone Formula: C16H22ClN3O2+2 MolecularWeight: 323.81778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CC[NH+](CC3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C16H20ClN3O2/c1-11-3-4-12(9-13(11)17)20-15(21)10-14(16(20)22)19-7-5-18(2)6-8-19/h3-4,9,14H,5-8,10H2,1-2H3/p+2/t14-/m1/s1