(3S)-1-[(4-chlorophenyl)methyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-[(4-chlorophenyl)methyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-[(4-chlorophenyl)methyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-[(4-chlorophenyl)methyl]-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-[(4-chlorophenyl)methyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-chlorobenzyl)-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:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21ClN4O2/c21-16-6-4-15(5-7-16)14-25-19(26)13-17(20(25)27)23-9-11-24(12-10-23)18-3-1-2-8-22-18/h1-8,17H,9-14H2/p+2/t17-/m0/s1