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

Systemtic Name: 3-[(3R)-3-[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 3-[(3R)-3-[(3S)-3-carbamoylpiperidin-1-ium-1-yl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 3-[(3R)-3-[(3S)-3-carbamoyl-1-piperidin-1-iumyl]-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 3-[(3R)-3-[(3S)-3-carbamoylpiperidin-1-ium-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 3-[(3R)-3-[(3S)-3-carbamoylpiperidin-1-ium-1-yl]-2,5-diketo-pyrrolidino]benzoate Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC(=O)N(C2=O)C3=CC=CC(=C3)C(=O)[O-])C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)[C@@H]2CC(=O)N(C2=O)C3=CC=CC(=C3)C(=O)[O-])C(=O)N

InChI

InChI=1S/C17H19N3O5/c18-15(22)11-4-2-6-19(9-11)13-8-14(21)20(16(13)23)12-5-1-3-10(7-12)17(24)25/h1,3,5,7,11,13H,2,4,6,8-9H2,(H2,18,22)(H,24,25)/t11-,13+/m0/s1