N-methyl-1-(3-methylsulfanylphenyl)-N-[2-methyl-1-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperidin-2-yl]-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-3-amine trihydrochloride

Systemtic Name: N-methyl-1-(3-methylsulfanylphenyl)-N-[2-methyl-1-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperidin-2-yl]-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-3-amine trihydrochloride Openeye Name: N-methyl-1-(3-methylsulfanylphenyl)-N-[2-methyl-1-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]-2-piperidyl]-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-3-amine trihydrochloride CAS Name: N-methyl-1-[3-(methylthio)phenyl]-N-[2-methyl-1-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]-2-piperidinyl]-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-3-amine trihydrochloride IUPAC Name: N-methyl-1-(3-methylsulfanylphenyl)-N-[2-methyl-1-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperidin-2-yl]-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-3-amine trihydrochloride Traditional Name: methyl-[1-[3-(methylthio)phenyl]-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-3-yl]-[2-methyl-1-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]-2-piperidyl]amine trihydrochloride Formula: C42H53Cl3N4O6S MolecularWeight: 848.31742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCN1C2=CC(=NC=C2)C3=CC(=C(C(=C3)OC)OC)OC)N(C)C4=CC=C(N(C4)C5=CC(=CC=C5)SC)C6=CC(=C(C(=C6)OC)OC)OC.Cl.Cl.Cl

Isomeric SMILES

CC1(CCCCN1C2=CC(=NC=C2)C3=CC(=C(C(=C3)OC)OC)OC)N(C)C4=CC=C(N(C4)C5=CC(=CC=C5)SC)C6=CC(=C(C(=C6)OC)OC)OC.Cl.Cl.Cl

InChI

InChI=1S/C42H50N4O6S.3ClH/c1-42(18-10-11-20-46(42)31-17-19-43-34(26-31)28-21-36(47-3)40(51-7)37(22-28)48-4)44(2)32-15-16-35(45(27-32)30-13-12-14-33(25-30)53-9)29-23-38(49-5)41(52-8)39(24-29)50-6;;;/h12-17,19,21-26H,10-11,18,20,27H2,1-9H3;3*1H