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

Systemtic Name: (3R)-1-(3-chloranyl-2-methyl-phenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3R)-1-(3-chloro-2-methyl-phenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-chloro-2-methylphenyl)-3-(1-piperazin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-chloro-2-methylphenyl)-3-piperazin-4-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3R)-1-(3-chloro-2-methyl-phenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-quinone Formula: C15H19ClN3O2+ MolecularWeight: 308.78326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)CC(C2=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C[C@H](C2=O)N3CC[NH2+]CC3

InChI

InChI=1S/C15H18ClN3O2/c1-10-11(16)3-2-4-12(10)19-14(20)9-13(15(19)21)18-7-5-17-6-8-18/h2-4,13,17H,5-9H2,1H3/p+1/t13-/m1/s1