[8-(3-methyloctan-2-yl)-5,5-bis(methylsulfanyl)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] 4-piperidin-1-ylbutanoate hydrochloride

Systemtic Name: [8-(3-methyloctan-2-yl)-5,5-bis(methylsulfanyl)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] 4-piperidin-1-ylbutanoate hydrochloride Openeye Name: [8-(1,2-dimethylheptyl)-5,5-bis(methylsulfanyl)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] 4-(1-piperidyl)butanoate hydrochloride CAS Name: 4-(1-piperidinyl)butanoic acid [8-(3-methyloctan-2-yl)-5,5-bis(methylthio)-2,3-dihydro-1H-pyrano[2,3-c][1]benzopyran-10-yl] ester hydrochloride IUPAC Name: [8-(3-methyloctan-2-yl)-5,5-bis(methylsulfanyl)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] 4-piperidin-1-ylbutanoate hydrochloride Traditional Name: 4-piperidinobutyric acid [8-(1,2-dimethylheptyl)-5,5-bis(methylthio)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] ester hydrochloride Formula: C32H50ClNO4S2 MolecularWeight: 612.3267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)C1=CC2=C(C3=C(C(O2)(SC)SC)OCCC3)C(=C1)OC(=O)CCCN4CCCCC4.Cl

Isomeric SMILES

CCCCCC(C)C(C)C1=CC2=C(C3=C(C(O2)(SC)SC)OCCC3)C(=C1)OC(=O)CCCN4CCCCC4.Cl

InChI

InChI=1S/C32H49NO4S2.ClH/c1-6-7-9-14-23(2)24(3)25-21-27(36-29(34)16-12-19-33-17-10-8-11-18-33)30-26-15-13-20-35-31(26)32(38-4,39-5)37-28(30)22-25;/h21-24H,6-20H2,1-5H3;1H