methyl 4-[1-[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]-2-oxidanylidene-2-phenylmethoxy-ethoxy]benzoate

Systemtic Name: methyl 4-[1-[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]-2-oxidanylidene-2-phenylmethoxy-ethoxy]benzoate Openeye Name: methyl 4-[2-benzyloxy-1-[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]-2-oxo-ethoxy]benzoate CAS Name: 4-[1-[1-(methoxymethyl)-1-pyrrolidin-1-iumyl]-2-oxo-2-phenylmethoxyethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]-2-oxo-2-phenylmethoxyethoxy]benzoate Traditional Name: 4-[2-benzoxy-2-keto-1-[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]ethoxy]benzoic acid methyl ester Formula: C23H28NO6+ MolecularWeight: 414.47152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC[N+]1(CCCC1)C(C(=O)OCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC[N+]1(CCCC1)C(C(=O)OCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H28NO6/c1-27-17-24(14-6-7-15-24)21(23(26)29-16-18-8-4-3-5-9-18)30-20-12-10-19(11-13-20)22(25)28-2/h3-5,8-13,21H,6-7,14-17H2,1-2H3/q+1