methyl 3-acetyloxy-5-(piperidin-1-ylmethyl)benzoate hydrochloride

Systemtic Name: methyl 3-acetyloxy-5-(piperidin-1-ylmethyl)benzoate hydrochloride Openeye Name: methyl 3-acetoxy-5-(1-piperidylmethyl)benzoate hydrochloride CAS Name: 3-acetyloxy-5-(1-piperidinylmethyl)benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-acetyloxy-5-(piperidin-1-ylmethyl)benzoate hydrochloride Traditional Name: 3-acetoxy-5-(piperidinomethyl)benzoic acid methyl ester hydrochloride Formula: C16H22ClNO4 MolecularWeight: 327.80318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1)CN2CCCCC2)C(=O)OC.Cl

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1)CN2CCCCC2)C(=O)OC.Cl

InChI

InChI=1S/C16H21NO4.ClH/c1-12(18)21-15-9-13(8-14(10-15)16(19)20-2)11-17-6-4-3-5-7-17;/h8-10H,3-7,11H2,1-2H3;1H