ethyl 1-[(3R)-1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3R)-1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3R)-1-(4-hexoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H35N2O5+ MolecularWeight: 431.5451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O5/c1-3-5-6-7-16-31-20-10-8-19(9-11-20)26-22(27)17-21(23(26)28)25-14-12-18(13-15-25)24(29)30-4-2/h8-11,18,21H,3-7,12-17H2,1-2H3/p+1/t21-/m1/s1