1-(phenylmethyl)piperidin-3-one hydrate hydrochloride

Systemtic Name: 1-(phenylmethyl)piperidin-3-one hydrate hydrochloride Openeye Name: 1-benzylpiperidin-3-one hydrate hydrochloride CAS Name: 1-(phenylmethyl)-3-piperidinone hydrate hydrochloride IUPAC Name: 1-benzylpiperidin-3-one hydrate hydrochloride Traditional Name: 1-benzyl-3-piperidone hydrate hydrochloride Formula: C12H18ClNO2 MolecularWeight: 243.72982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CN(C1)CC2=CC=CC=C2.O.Cl

Isomeric SMILES

C1CC(=O)CN(C1)CC2=CC=CC=C2.O.Cl

InChI

InChI=1S/C12H15NO.ClH.H2O/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;;/h1-3,5-6H,4,7-10H2;1H;1H2