4-[1-(1-methylpyrrolidin-1-ium-1-yl)-2-oxidanylidene-2-phenylmethoxy-ethoxy]benzoic acid

Systemtic Name: 4-[1-(1-methylpyrrolidin-1-ium-1-yl)-2-oxidanylidene-2-phenylmethoxy-ethoxy]benzoic acid Openeye Name: 4-[2-benzyloxy-1-(1-methylpyrrolidin-1-ium-1-yl)-2-oxo-ethoxy]benzoic acid CAS Name: 4-[1-(1-methyl-1-pyrrolidin-1-iumyl)-2-oxo-2-phenylmethoxyethoxy]benzoic acid IUPAC Name: 4-[1-(1-methylpyrrolidin-1-ium-1-yl)-2-oxo-2-phenylmethoxyethoxy]benzoic acid Traditional Name: 4-[2-benzoxy-2-keto-1-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]benzoic acid Formula: C21H24NO5+ MolecularWeight: 370.41896

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-22(13-5-6-14-22)19(21(25)26-15-16-7-3-2-4-8-16)27-18-11-9-17(10-12-18)20(23)24/h2-4,7-12,19H,5-6,13-15H2,1H3/p+1