1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(pyridin-2-ylamino)-3-sulfanyl-propan-1-one dihydrochloride

Systemtic Name: 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(pyridin-2-ylamino)-3-sulfanyl-propan-1-one dihydrochloride Openeye Name: 1-[4-(1-methyl-4-piperidyl)-1-piperidyl]-2-(2-pyridylamino)-3-sulfanyl-propan-1-one dihydrochloride CAS Name: 3-mercapto-1-[4-(1-methyl-4-piperidinyl)-1-piperidinyl]-2-(2-pyridinylamino)-1-propanone dihydrochloride IUPAC Name: 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(pyridin-2-ylamino)-3-sulfanylpropan-1-one dihydrochloride Traditional Name: 3-mercapto-1-[4-(1-methyl-4-piperidyl)piperidino]-2-(2-pyridylamino)propan-1-one dihydrochloride Formula: C19H32Cl2N4OS MolecularWeight: 435.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CCN(CC2)C(=O)C(CS)NC3=CC=CC=N3.Cl.Cl

Isomeric SMILES

CN1CCC(CC1)C2CCN(CC2)C(=O)C(CS)NC3=CC=CC=N3.Cl.Cl

InChI

InChI=1S/C19H30N4OS.2ClH/c1-22-10-5-15(6-11-22)16-7-12-23(13-8-16)19(24)17(14-25)21-18-4-2-3-9-20-18;;/h2-4,9,15-17,25H,5-8,10-14H2,1H3,(H,20,21);2*1H