(3S)-1-(4-ethoxyphenyl)-3-(4-oxidanylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-ethoxyphenyl)-3-(4-oxidanylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-ethoxyphenyl)-3-(4-hydroxypiperidin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-ethoxyphenyl)-3-(4-hydroxy-1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-ethoxyphenyl)-3-(4-hydroxypiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-hydroxypiperidin-1-ium-1-yl)-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)O

InChI

InChI=1S/C17H22N2O4/c1-2-23-14-5-3-12(4-6-14)19-16(21)11-15(17(19)22)18-9-7-13(20)8-10-18/h3-6,13,15,20H,2,7-11H2,1H3/p+1/t15-/m0/s1