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

Systemtic Name: 4-[(3S)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]benzoate Openeye Name: 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]benzoate IUPAC Name: 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]benzoate Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c19-14-10-13(17-8-2-1-3-9-17)15(20)18(14)12-6-4-11(5-7-12)16(21)22/h4-7,13H,1-3,8-10H2,(H,21,22)/t13-/m0/s1