[2-(hydroxymethyl)-1-phenylmethoxy-6-(phenylmethoxymethyl)piperidin-1-ium-1-yl] benzoate

Systemtic Name: [2-(hydroxymethyl)-1-phenylmethoxy-6-(phenylmethoxymethyl)piperidin-1-ium-1-yl] benzoate Openeye Name: [1-benzyloxy-2-(benzyloxymethyl)-6-(hydroxymethyl)piperidin-1-ium-1-yl] benzoate CAS Name: benzoic acid [2-(hydroxymethyl)-1-phenylmethoxy-6-(phenylmethoxymethyl)-1-piperidin-1-iumyl] ester IUPAC Name: [2-(hydroxymethyl)-1-phenylmethoxy-6-(phenylmethoxymethyl)piperidin-1-ium-1-yl] benzoate Traditional Name: benzoic acid [1-benzoxy-2-(benzoxymethyl)-6-methylol-piperidin-1-ium-1-yl] ester Formula: C28H32NO5+ MolecularWeight: 462.55738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C(C1)COCC2=CC=CC=C2)(OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)CO

Isomeric SMILES

C1CC([N+](C(C1)COCC2=CC=CC=C2)(OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)CO

InChI

InChI=1S/C28H32NO5/c30-19-26-17-10-18-27(22-32-20-23-11-4-1-5-12-23)29(26,33-21-24-13-6-2-7-14-24)34-28(31)25-15-8-3-9-16-25/h1-9,11-16,26-27,30H,10,17-22H2/q+1