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

Systemtic Name: 3-[(3R)-2,5-bis(oxidanylidene)-3-pyrrolidin-1-ium-1-yl-pyrrolidin-1-yl]-4-methyl-benzoate Openeye Name: 3-[(3R)-2,5-dioxo-3-pyrrolidin-1-ium-1-yl-pyrrolidin-1-yl]-4-methyl-benzoate CAS Name: 3-[(3R)-2,5-dioxo-3-(1-pyrrolidin-1-iumyl)-1-pyrrolidinyl]-4-methylbenzoate IUPAC Name: 3-[(3R)-2,5-dioxo-3-pyrrolidin-1-ium-1-ylpyrrolidin-1-yl]-4-methylbenzoate Traditional Name: 3-[(3R)-2,5-diketo-3-pyrrolidin-1-ium-1-yl-pyrrolidino]-4-methyl-benzoate Formula: C16H18N2O4 MolecularWeight: 302.32512

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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+]3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])N2C(=O)C[C@H](C2=O)[NH+]3CCCC3

InChI

InChI=1S/C16H18N2O4/c1-10-4-5-11(16(21)22)8-12(10)18-14(19)9-13(15(18)20)17-6-2-3-7-17/h4-5,8,13H,2-3,6-7,9H2,1H3,(H,21,22)/t13-/m1/s1