(phenylmethyl) 2-[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]-2-oxidanyl-ethanoate

Systemtic Name: (phenylmethyl) 2-[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]-2-oxidanyl-ethanoate Openeye Name: benzyl 2-hydroxy-2-[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-hydroxy-2-[1-(methoxymethyl)-1-pyrrolidin-1-iumyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-hydroxy-2-[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-hydroxy-2-[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]acetic acid benzyl ester Formula: C15H22NO4+ MolecularWeight: 280.33948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC[N+]1(CCCC1)C(C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

COC[N+]1(CCCC1)C(C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C15H22NO4/c1-19-12-16(9-5-6-10-16)14(17)15(18)20-11-13-7-3-2-4-8-13/h2-4,7-8,14,17H,5-6,9-12H2,1H3/q+1