[1-methyl-3-(phenylcarbonyl)piperidin-3-yl] 4-oxidanylbenzoate hydrate hydrochloride

Systemtic Name: [1-methyl-3-(phenylcarbonyl)piperidin-3-yl] 4-oxidanylbenzoate hydrate hydrochloride Openeye Name: (3-benzoyl-1-methyl-3-piperidyl) 4-hydroxybenzoate hydrate hydrochloride CAS Name: 4-hydroxybenzoic acid (3-benzoyl-1-methyl-3-piperidinyl) ester hydrate hydrochloride IUPAC Name: (3-benzoyl-1-methylpiperidin-3-yl) 4-hydroxybenzoate hydrate hydrochloride Traditional Name: 4-hydroxybenzoic acid (3-benzoyl-1-methyl-3-piperidyl) ester hydrate hydrochloride Formula: C20H24ClNO5 MolecularWeight: 393.86126

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)O.O.Cl

Isomeric SMILES

CN1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)O.O.Cl

InChI

InChI=1S/C20H21NO4.ClH.H2O/c1-21-13-5-12-20(14-21,18(23)15-6-3-2-4-7-15)25-19(24)16-8-10-17(22)11-9-16;;/h2-4,6-11,22H,5,12-14H2,1H3;1H;1H2