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

Systemtic Name: ethyl 1-[(3S)-1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3S)-2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H27N2O5+ MolecularWeight: 375.43878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5/c1-3-26-16-7-5-15(6-8-16)22-18(23)13-17(19(22)24)21-11-9-14(10-12-21)20(25)27-4-2/h5-8,14,17H,3-4,9-13H2,1-2H3/p+1/t17-/m0/s1