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

Systemtic Name: [2-(hydroxymethyl)-1-(phenylmethoxymethyl)piperidin-1-ium-1-yl] benzoate Openeye Name: [1-(benzyloxymethyl)-2-(hydroxymethyl)piperidin-1-ium-1-yl] benzoate CAS Name: benzoic acid [2-(hydroxymethyl)-1-(phenylmethoxymethyl)-1-piperidin-1-iumyl] ester IUPAC Name: [2-(hydroxymethyl)-1-(phenylmethoxymethyl)piperidin-1-ium-1-yl] benzoate Traditional Name: benzoic acid [1-(benzoxymethyl)-2-methylol-piperidin-1-ium-1-yl] ester Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO4/c23-15-20-13-7-8-14-22(20,17-25-16-18-9-3-1-4-10-18)26-21(24)19-11-5-2-6-12-19/h1-6,9-12,20,23H,7-8,13-17H2/q+1