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

Systemtic Name: ethyl 4-[(3S)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[(3S)-2,5-dioxo-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-2,5-dioxo-3-(1-piperidin-1-iumyl)-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-2,5-diketo-3-piperidin-1-ium-1-yl-pyrrolidino]benzoic acid ethyl ester Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C18H22N2O4/c1-2-24-18(23)13-6-8-14(9-7-13)20-16(21)12-15(17(20)22)19-10-4-3-5-11-19/h6-9,15H,2-5,10-12H2,1H3/p+1/t15-/m0/s1