2-(4-hydroxyphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]-1-benzothiophen-6-ol hydrochloride

Systemtic Name: 2-(4-hydroxyphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]-1-benzothiophen-6-ol hydrochloride Openeye Name: 2-(4-hydroxyphenyl)-3-[4-[3-(1-piperidyl)propoxy]phenoxy]benzothiophen-6-ol hydrochloride CAS Name: 2-(4-hydroxyphenyl)-3-[4-[3-(1-piperidinyl)propoxy]phenoxy]-1-benzothiophen-6-ol hydrochloride IUPAC Name: 2-(4-hydroxyphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]-1-benzothiophen-6-ol hydrochloride Traditional Name: 2-(4-hydroxyphenyl)-3-[4-(3-piperidinopropoxy)phenoxy]benzothiophen-6-ol hydrochloride Formula: C28H30ClNO4S MolecularWeight: 512.0601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

InChI

InChI=1S/C28H29NO4S.ClH/c30-21-7-5-20(6-8-21)28-27(25-14-9-22(31)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-4-17-29-15-2-1-3-16-29;/h5-14,19,30-31H,1-4,15-18H2;1H