1-(4-cyclopentylphenyl)-4-(4-oxidanyl-4-phenyl-piperidin-1-yl)butan-1-one hydrate hydrochloride

Systemtic Name: 1-(4-cyclopentylphenyl)-4-(4-oxidanyl-4-phenyl-piperidin-1-yl)butan-1-one hydrate hydrochloride Openeye Name: 1-(4-cyclopentylphenyl)-4-(4-hydroxy-4-phenyl-1-piperidyl)butan-1-one hydrate hydrochloride CAS Name: 1-(4-cyclopentylphenyl)-4-(4-hydroxy-4-phenyl-1-piperidinyl)-1-butanone hydrate hydrochloride IUPAC Name: 1-(4-cyclopentylphenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one hydrate hydrochloride Traditional Name: 1-(4-cyclopentylphenyl)-4-(4-hydroxy-4-phenyl-piperidino)butan-1-one hydrate hydrochloride Formula: C26H36ClNO3 MolecularWeight: 446.02194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC=C(C=C2)C(=O)CCCN3CCC(CC3)(C4=CC=CC=C4)O.O.Cl

Isomeric SMILES

C1CCC(C1)C2=CC=C(C=C2)C(=O)CCCN3CCC(CC3)(C4=CC=CC=C4)O.O.Cl

InChI

InChI=1S/C26H33NO2.ClH.H2O/c28-25(23-14-12-22(13-15-23)21-7-4-5-8-21)11-6-18-27-19-16-26(29,17-20-27)24-9-2-1-3-10-24;;/h1-3,9-10,12-15,21,29H,4-8,11,16-20H2;1H;1H2