2-(4-hydroxyphenyl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol hydrochloride

Systemtic Name: 2-(4-hydroxyphenyl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol hydrochloride Openeye Name: 2-(4-hydroxyphenyl)-3-[3-[2-(1-piperidyl)ethoxy]phenyl]benzothiophen-6-ol hydrochloride CAS Name: 2-(4-hydroxyphenyl)-3-[3-[2-(1-piperidinyl)ethoxy]phenyl]-1-benzothiophen-6-ol hydrochloride IUPAC Name: 2-(4-hydroxyphenyl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol hydrochloride Traditional Name: 2-(4-hydroxyphenyl)-3-[3-(2-piperidinoethoxy)phenyl]benzothiophen-6-ol hydrochloride Formula: C27H28ClNO3S MolecularWeight: 482.03412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=CC(=C2)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=CC(=C2)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

InChI

InChI=1S/C27H27NO3S.ClH/c29-21-9-7-19(8-10-21)27-26(24-12-11-22(30)18-25(24)32-27)20-5-4-6-23(17-20)31-16-15-28-13-2-1-3-14-28;/h4-12,17-18,29-30H,1-3,13-16H2;1H