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

Systemtic Name: methyl 4-[1-(1-methylpyrrolidin-1-ium-1-yl)-2-oxidanylidene-2-phenylmethoxy-ethoxy]benzoate Openeye Name: methyl 4-[2-benzyloxy-1-(1-methylpyrrolidin-1-ium-1-yl)-2-oxo-ethoxy]benzoate CAS Name: 4-[1-(1-methyl-1-pyrrolidin-1-iumyl)-2-oxo-2-phenylmethoxyethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(1-methylpyrrolidin-1-ium-1-yl)-2-oxo-2-phenylmethoxyethoxy]benzoate Traditional Name: 4-[2-benzoxy-2-keto-1-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]benzoic acid methyl ester Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26NO5/c1-23(14-6-7-15-23)20(22(25)27-16-17-8-4-3-5-9-17)28-19-12-10-18(11-13-19)21(24)26-2/h3-5,8-13,20H,6-7,14-16H2,1-2H3/q+1