(3S)-1-(3,5-dimethoxyphenyl)-3-morpholin-4-ium-4-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(3,5-dimethoxyphenyl)-3-morpholin-4-ium-4-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3,5-dimethoxyphenyl)-3-morpholin-4-ium-4-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(3,5-dimethoxyphenyl)-3-(4-morpholin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3,5-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(3,5-dimethoxyphenyl)-3-morpholin-4-ium-4-yl-pyrrolidine-2,5-quinone Formula: C16H21N2O5+ MolecularWeight: 321.34834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCOCC3)OC

InChI

InChI=1S/C16H20N2O5/c1-21-12-7-11(8-13(9-12)22-2)18-15(19)10-14(16(18)20)17-3-5-23-6-4-17/h7-9,14H,3-6,10H2,1-2H3/p+1/t14-/m0/s1