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

Systemtic Name: ethyl 4-[(3S)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5/c1-3-13-28-16-7-5-15(6-8-16)23-18(24)14-17(19(23)25)21-9-11-22(12-10-21)20(26)27-4-2/h5-8,17H,3-4,9-14H2,1-2H3/p+1/t17-/m0/s1