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

Systemtic Name: (3S)-1-(3-chloranyl-4-methyl-phenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-chloro-4-methyl-phenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-chloro-4-methylphenyl)-3-(4-ethyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-chloro-4-methylphenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3-chloro-4-methyl-phenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C17H23ClN3O2+ MolecularWeight: 336.83642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCN1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C17H22ClN3O2/c1-3-19-6-8-20(9-7-19)15-11-16(22)21(17(15)23)13-5-4-12(2)14(18)10-13/h4-5,10,15H,3,6-9,11H2,1-2H3/p+1/t15-/m0/s1