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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])N2C(=O)C[C@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C17H20N2O4/c1-11-5-6-12(17(22)23)9-13(11)19-15(20)10-14(16(19)21)18-7-3-2-4-8-18/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,22,23)/t14-/m1/s1