4-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]-1-thiophen-2-yl-butan-1-one hydrochloride

Systemtic Name: 4-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]-1-thiophen-2-yl-butan-1-one hydrochloride Openeye Name: 4-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]-1-(2-thienyl)butan-1-one hydrochloride CAS Name: 4-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-1-thiophen-2-yl-1-butanone hydrochloride IUPAC Name: 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-thiophen-2-ylbutan-1-one hydrochloride Traditional Name: 4-[4-[hydroxy(diphenyl)methyl]piperidino]-1-(2-thienyl)butan-1-one hydrochloride Formula: C26H30ClNO2S MolecularWeight: 456.0399

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC(=O)C4=CC=CS4.Cl

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC(=O)C4=CC=CS4.Cl

InChI

InChI=1S/C26H29NO2S.ClH/c28-24(25-14-8-20-30-25)13-7-17-27-18-15-23(16-19-27)26(29,21-9-3-1-4-10-21)22-11-5-2-6-12-22;/h1-6,8-12,14,20,23,29H,7,13,15-19H2;1H