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

Systemtic Name: (3S)-1-(5-chloranyl-2-methoxy-phenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(5-chloro-2-methoxyphenyl)-3-(4-methyl-1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C17H22ClN2O3+ MolecularWeight: 337.82118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C17H21ClN2O3/c1-11-5-7-19(8-6-11)14-10-16(21)20(17(14)22)13-9-12(18)3-4-15(13)23-2/h3-4,9,11,14H,5-8,10H2,1-2H3/p+1/t14-/m0/s1