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

Systemtic Name: (3S)-1-(3-chloranyl-4-methyl-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-chloro-4-methyl-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-chloro-4-methylphenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-chloro-4-methylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3-chloro-4-methyl-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C20H23ClN4O2+2 MolecularWeight: 386.87522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)Cl

InChI

InChI=1S/C20H21ClN4O2/c1-14-5-6-15(12-16(14)21)25-19(26)13-17(20(25)27)23-8-10-24(11-9-23)18-4-2-3-7-22-18/h2-7,12,17H,8-11,13H2,1H3/p+2/t17-/m0/s1