(phenylmethyl) 2-(1-methylpyrrolidin-1-ium-1-yl)-2-oxidanyl-ethanoate

Systemtic Name: (phenylmethyl) 2-(1-methylpyrrolidin-1-ium-1-yl)-2-oxidanyl-ethanoate Openeye Name: benzyl 2-hydroxy-2-(1-methylpyrrolidin-1-ium-1-yl)acetate CAS Name: 2-hydroxy-2-(1-methyl-1-pyrrolidin-1-iumyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-hydroxy-2-(1-methylpyrrolidin-1-ium-1-yl)acetate Traditional Name: 2-hydroxy-2-(1-methylpyrrolidin-1-ium-1-yl)acetic acid benzyl ester Formula: C14H20NO3+ MolecularWeight: 250.3135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20NO3/c1-15(9-5-6-10-15)13(16)14(17)18-11-12-7-3-2-4-8-12/h2-4,7-8,13,16H,5-6,9-11H2,1H3/q+1