ethyl 2-[4-[(3R)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[(3R)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]phenyl]ethanoate Openeye Name: ethyl 2-[4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]phenyl]acetate CAS Name: 2-[4-[(3R)-2,5-dioxo-3-(1-piperidin-1-iumyl)-1-pyrrolidinyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]phenyl]acetate Traditional Name: 2-[4-[(3R)-2,5-diketo-3-piperidin-1-ium-1-yl-pyrrolidino]phenyl]acetic acid ethyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4/c1-2-25-18(23)12-14-6-8-15(9-7-14)21-17(22)13-16(19(21)24)20-10-4-3-5-11-20/h6-9,16H,2-5,10-13H2,1H3/p+1/t16-/m1/s1