4-(3,4-dimethylphenoxy)piperidin-3-one hydrate hydrochloride

Systemtic Name: 4-(3,4-dimethylphenoxy)piperidin-3-one hydrate hydrochloride Openeye Name: 4-(3,4-dimethylphenoxy)piperidin-3-one hydrate hydrochloride CAS Name: 4-(3,4-dimethylphenoxy)-3-piperidinone hydrate hydrochloride IUPAC Name: 4-(3,4-dimethylphenoxy)piperidin-3-one hydrate hydrochloride Traditional Name: 4-(3,4-dimethylphenoxy)-3-piperidone hydrate hydrochloride Formula: C13H20ClNO3 MolecularWeight: 273.7558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2CCNCC2=O)C.O.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)OC2CCNCC2=O)C.O.Cl

InChI

InChI=1S/C13H17NO2.ClH.H2O/c1-9-3-4-11(7-10(9)2)16-13-5-6-14-8-12(13)15;;/h3-4,7,13-14H,5-6,8H2,1-2H3;1H;1H2