1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-5-(1,2-dithiolan-3-yl)pentan-1-one

Systemtic Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-5-(1,2-dithiolan-3-yl)pentan-1-one Openeye Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]-5-(dithiolan-3-yl)pentan-1-one CAS Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]-5-(3-dithiolanyl)-1-pentanone IUPAC Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-5-(dithiolan-3-yl)pentan-1-one Traditional Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidino]-5-(dithiolan-3-yl)pentan-1-one Formula: C24H36N2O3S2 MolecularWeight: 464.68424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCN(CC3)C(=O)CCCCC4CCSS4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3CCN(CC3)C(=O)CCCCC4CCSS4)OC

InChI

InChI=1S/C24H36N2O3S2/c1-28-22-15-18-7-11-26(17-19(18)16-23(22)29-2)20-8-12-25(13-9-20)24(27)6-4-3-5-21-10-14-30-31-21/h15-16,20-21H,3-14,17H2,1-2H3