(3R)-1-(4-hexoxyphenyl)-3-(4-oxidanylidenepiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-hexoxyphenyl)-3-(4-oxidanylidenepiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-hexoxyphenyl)-3-(4-oxopiperidin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-hexoxyphenyl)-3-(4-oxo-1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-hexoxyphenyl)-3-(4-oxopiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-hexoxyphenyl)-3-(4-ketopiperidin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C21H29N2O4+ MolecularWeight: 373.46596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(=O)CC3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCC(=O)CC3

InChI

InChI=1S/C21H28N2O4/c1-2-3-4-5-14-27-18-8-6-16(7-9-18)23-20(25)15-19(21(23)26)22-12-10-17(24)11-13-22/h6-9,19H,2-5,10-15H2,1H3/p+1/t19-/m1/s1