(3S)-1-[3,5-bis(chloranyl)phenyl]-3-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-[3,5-bis(chloranyl)phenyl]-3-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3,5-dichlorophenyl)-3-[4-(4-pyridyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(3,5-dichlorophenyl)-3-(4-pyridin-4-yl-1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3,5-dichlorophenyl)-3-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3,5-dichlorophenyl)-3-[4-(4-pyridyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C20H20Cl2N3O2+ MolecularWeight: 405.2977

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=NC=C2)C3CC(=O)N(C3=O)C4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

C1C[NH+](CCC1C2=CC=NC=C2)[C@H]3CC(=O)N(C3=O)C4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O2/c21-15-9-16(22)11-17(10-15)25-19(26)12-18(20(25)27)24-7-3-14(4-8-24)13-1-5-23-6-2-13/h1-2,5-6,9-11,14,18H,3-4,7-8,12H2/p+1/t18-/m0/s1