1-(azepan-1-yl)-4-[4-(3-methoxythiophen-2-yl)-4-oxidanyl-piperidin-1-yl]-2-phenyl-butan-1-one hydroiodide

Systemtic Name: 1-(azepan-1-yl)-4-[4-(3-methoxythiophen-2-yl)-4-oxidanyl-piperidin-1-yl]-2-phenyl-butan-1-one hydroiodide Openeye Name: 1-(azepan-1-yl)-4-[4-hydroxy-4-(3-methoxy-2-thienyl)-1-piperidyl]-2-phenyl-butan-1-one hydroiodide CAS Name: 1-(1-azepanyl)-4-[4-hydroxy-4-(3-methoxy-2-thiophenyl)-1-piperidinyl]-2-phenyl-1-butanone hydroiodide IUPAC Name: 1-(azepan-1-yl)-4-[4-hydroxy-4-(3-methoxythiophen-2-yl)piperidin-1-yl]-2-phenylbutan-1-one hydroiodide Traditional Name: 1-(azepan-1-yl)-4-[4-hydroxy-4-(3-methoxy-2-thienyl)piperidino]-2-phenyl-butan-1-one hydroiodide Formula: C26H37IN2O3S MolecularWeight: 584.55305

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1)C2(CCN(CC2)CCC(C3=CC=CC=C3)C(=O)N4CCCCCC4)O.I

Isomeric SMILES

COC1=C(SC=C1)C2(CCN(CC2)CCC(C3=CC=CC=C3)C(=O)N4CCCCCC4)O.I

InChI

InChI=1S/C26H36N2O3S.HI/c1-31-23-12-20-32-24(23)26(30)13-18-27(19-14-26)17-11-22(21-9-5-4-6-10-21)25(29)28-15-7-2-3-8-16-28;/h4-6,9-10,12,20,22,30H,2-3,7-8,11,13-19H2,1H3;1H