4-[oxidanyl-(1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]benzoic acid

Systemtic Name: 4-[oxidanyl-(1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]benzoic acid Openeye Name: 4-[(1-benzyloxycarbonylpyrrolidin-1-ium-1-yl)-hydroxy-methoxy]benzoic acid CAS Name: 4-[hydroxy-(1-phenylmethoxycarbonyl-1-pyrrolidin-1-iumyl)methoxy]benzoic acid IUPAC Name: 4-[hydroxy-(1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]benzoic acid Traditional Name: 4-[(1-carbobenzoxypyrrolidin-1-ium-1-yl)-hydroxy-methoxy]benzoic acid Formula: C20H22NO6+ MolecularWeight: 372.39178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(C(O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC[N+](C1)(C(O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO6/c22-18(23)16-8-10-17(11-9-16)27-20(25)21(12-4-5-13-21)19(24)26-14-15-6-2-1-3-7-15/h1-3,6-11,20,25H,4-5,12-14H2/p+1