[3-carbonochloridimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] hexadecanoate dihydrochloride

Systemtic Name: [3-carbonochloridimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] hexadecanoate dihydrochloride Openeye Name: [3-(chlorocarbonimidoyl)-4-[3-(1-piperidyl)propoxy]-2-pyridyl] hexadecanoate dihydrochloride CAS Name: hexadecanoic acid [3-carbonochloridimidoyl-4-[3-(1-piperidinyl)propoxy]-2-pyridinyl] ester dihydrochloride IUPAC Name: [3-carbonochloridimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] hexadecanoate dihydrochloride Traditional Name: palmitic acid [3-(chlorocarbonimidoyl)-4-(3-piperidinopropoxy)-2-pyridyl] ester dihydrochloride Formula: C30H52Cl3N3O3 MolecularWeight: 609.11118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=NC=CC(=C1C(=N)Cl)OCCCN2CCCCC2.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=NC=CC(=C1C(=N)Cl)OCCCN2CCCCC2.Cl.Cl

InChI

InChI=1S/C30H50ClN3O3.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-27(35)37-30-28(29(31)32)26(20-21-33-30)36-25-18-24-34-22-16-14-17-23-34;;/h20-21,32H,2-19,22-25H2,1H3;2*1H