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

Systemtic Name: 3-[(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoate Openeye Name: 3-[(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2,5-dioxo-pyrrolidin-1-yl]-4-methyl-benzoate CAS Name: 3-[(3R)-3-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2,5-dioxo-1-pyrrolidinyl]-4-methylbenzoate IUPAC Name: 3-[(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoate Traditional Name: 3-[(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2,5-diketo-pyrrolidino]-4-methyl-benzoate Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4/c1-3-14-6-4-5-9-20(14)16-11-17(22)21(18(16)23)15-10-13(19(24)25)8-7-12(15)2/h7-8,10,14,16H,3-6,9,11H2,1-2H3,(H,24,25)/t14-,16+/m0/s1