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

Systemtic Name: ethyl 4-[(3R)-1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3R)-2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H26N3O5+ MolecularWeight: 376.42684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5/c1-3-26-15-7-5-14(6-8-15)22-17(23)13-16(18(22)24)20-9-11-21(12-10-20)19(25)27-4-2/h5-8,16H,3-4,9-13H2,1-2H3/p+1/t16-/m1/s1