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

Systemtic Name: 4-[(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-3-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2,5-diketo-pyrrolidino]benzoate Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC[C@H]1CCCC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H22N2O4/c1-2-13-5-3-4-10-19(13)15-11-16(21)20(17(15)22)14-8-6-12(7-9-14)18(23)24/h6-9,13,15H,2-5,10-11H2,1H3,(H,23,24)/t13-,15+/m0/s1