(3R)-1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3R)-1-(5-chloro-2,4-dimethoxy-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3R)-1-(5-chloro-2,4-dimethoxyphenyl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(5-chloro-2,4-dimethoxyphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3R)-1-(5-chloro-2,4-dimethoxy-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C17H22ClN2O4+ MolecularWeight: 353.82058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2C(=O)CC(C2=O)[NH+]3CCCCC3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1N2C(=O)C[C@H](C2=O)[NH+]3CCCCC3)Cl)OC

InChI

InChI=1S/C17H21ClN2O4/c1-23-14-10-15(24-2)12(8-11(14)18)20-16(21)9-13(17(20)22)19-6-4-3-5-7-19/h8,10,13H,3-7,9H2,1-2H3/p+1/t13-/m1/s1