3-(4-hydroxyphenyl)-3-methyl-4-[4-(4-piperidin-1-ylbutoxy)phenyl]-2,4-dihydrothiochromen-7-ol hydrochloride

Systemtic Name: 3-(4-hydroxyphenyl)-3-methyl-4-[4-(4-piperidin-1-ylbutoxy)phenyl]-2,4-dihydrothiochromen-7-ol hydrochloride Openeye Name: 3-(4-hydroxyphenyl)-3-methyl-4-[4-[4-(1-piperidyl)butoxy]phenyl]thiochroman-7-ol hydrochloride CAS Name: 3-(4-hydroxyphenyl)-3-methyl-4-[4-[4-(1-piperidinyl)butoxy]phenyl]-2,4-dihydro-1-benzothiopyran-7-ol hydrochloride IUPAC Name: 3-(4-hydroxyphenyl)-3-methyl-4-[4-(4-piperidin-1-ylbutoxy)phenyl]-2,4-dihydrothiochromen-7-ol hydrochloride Traditional Name: 3-(4-hydroxyphenyl)-3-methyl-4-[4-(4-piperidinobutoxy)phenyl]thiochroman-7-ol hydrochloride Formula: C31H38ClNO3S MolecularWeight: 540.15632

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1C3=CC=C(C=C3)OCCCCN4CCCCC4)C=CC(=C2)O)C5=CC=C(C=C5)O.Cl

Isomeric SMILES

CC1(CSC2=C(C1C3=CC=C(C=C3)OCCCCN4CCCCC4)C=CC(=C2)O)C5=CC=C(C=C5)O.Cl

InChI

InChI=1S/C31H37NO3S.ClH/c1-31(24-9-11-25(33)12-10-24)22-36-29-21-26(34)13-16-28(29)30(31)23-7-14-27(15-8-23)35-20-6-5-19-32-17-3-2-4-18-32;/h7-16,21,30,33-34H,2-6,17-20,22H2,1H3;1H