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

Systemtic Name: 2-(4-hydroxyphenyl)-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-6-ol hydrochloride Openeye Name: 2-(4-hydroxyphenyl)-3-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]benzothiophen-6-ol hydrochloride CAS Name: 2-(4-hydroxyphenyl)-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-ol hydrochloride IUPAC Name: 2-(4-hydroxyphenyl)-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-6-ol hydrochloride Traditional Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzyl]benzothiophen-6-ol hydrochloride Formula: C28H30ClNO3S MolecularWeight: 496.0607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

InChI

InChI=1S/C28H29NO3S.ClH/c30-22-8-6-21(7-9-22)28-26(25-13-10-23(31)19-27(25)33-28)18-20-4-11-24(12-5-20)32-17-16-29-14-2-1-3-15-29;/h4-13,19,30-31H,1-3,14-18H2;1H