(3S)-1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C16H17ClF3N2O2+ MolecularWeight: 361.76659

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H16ClF3N2O2/c17-12-5-4-10(8-11(12)16(18,19)20)22-14(23)9-13(15(22)24)21-6-2-1-3-7-21/h4-5,8,13H,1-3,6-7,9H2/p+1/t13-/m0/s1