2-[4-[(3R)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]phenyl]ethanoate

Systemtic Name: 2-[4-[(3R)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]phenyl]ethanoate Openeye Name: 2-[4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]phenyl]acetate CAS Name: 2-[4-[(3R)-2,5-dioxo-3-(1-piperidin-1-iumyl)-1-pyrrolidinyl]phenyl]acetate IUPAC Name: 2-[4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]phenyl]acetate Traditional Name: 2-[4-[(3R)-2,5-diketo-3-piperidin-1-ium-1-yl-pyrrolidino]phenyl]acetate Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)CC(=O)[O-]

InChI

InChI=1S/C17H20N2O4/c20-15-11-14(18-8-2-1-3-9-18)17(23)19(15)13-6-4-12(5-7-13)10-16(21)22/h4-7,14H,1-3,8-11H2,(H,21,22)/t14-/m1/s1