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

Systemtic Name: (3S)-3-(4-oxidanylpiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-hydroxypiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-hydroxy-1-piperidin-1-iumyl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-hydroxypiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-hydroxypiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)O

InChI

InChI=1S/C18H24N2O4/c1-2-11-24-15-5-3-13(4-6-15)20-17(22)12-16(18(20)23)19-9-7-14(21)8-10-19/h3-6,14,16,21H,2,7-12H2,1H3/p+1/t16-/m0/s1