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

Systemtic Name: [1-methyl-3-(phenylcarbonyl)piperidin-3-yl] 4-methoxybenzoate hydrate hydrochloride Openeye Name: (3-benzoyl-1-methyl-3-piperidyl) 4-methoxybenzoate hydrate hydrochloride CAS Name: 4-methoxybenzoic acid (3-benzoyl-1-methyl-3-piperidinyl) ester hydrate hydrochloride IUPAC Name: (3-benzoyl-1-methylpiperidin-3-yl) 4-methoxybenzoate hydrate hydrochloride Traditional Name: 4-methoxybenzoic acid (3-benzoyl-1-methyl-3-piperidyl) ester hydrate hydrochloride Formula: C21H26ClNO5 MolecularWeight: 407.88784

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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)OC.O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4.ClH.H2O/c1-22-14-6-13-21(15-22,19(23)16-7-4-3-5-8-16)26-20(24)17-9-11-18(25-2)12-10-17;;/h3-5,7-12H,6,13-15H2,1-2H3;1H;1H2