(3S)-1-(3,5-dimethoxyphenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(3,5-dimethoxyphenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3,5-dimethoxyphenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(3,5-dimethoxyphenyl)-3-[(2S)-2-methyl-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3,5-dimethoxyphenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3,5-dimethoxyphenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C2CC(=O)N(C2=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C18H24N2O4/c1-12-6-4-5-7-19(12)16-11-17(21)20(18(16)22)13-8-14(23-2)10-15(9-13)24-3/h8-10,12,16H,4-7,11H2,1-3H3/p+1/t12-,16-/m0/s1