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

Systemtic Name: ethyl 4-[(3R)-1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3R)-1-(4-hexoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H34N3O5+ MolecularWeight: 432.53316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O5/c1-3-5-6-7-16-31-19-10-8-18(9-11-19)26-21(27)17-20(22(26)28)24-12-14-25(15-13-24)23(29)30-4-2/h8-11,20H,3-7,12-17H2,1-2H3/p+1/t20-/m1/s1