hexadecanoic acid; N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline

Systemtic Name: hexadecanoic acid; N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline Openeye Name: palmitic acid; N-[2-(1-piperidyl)ethyl]-N-(2-pyridylmethyl)aniline CAS Name: hexadecanoic acid; N-[2-(1-piperidinyl)ethyl]-N-(2-pyridinylmethyl)aniline IUPAC Name: hexadecanoic acid; N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline Traditional Name: palmitic acid; phenyl-(2-piperidinoethyl)-(2-pyridylmethyl)amine Formula: C67H121N3O6 MolecularWeight: 1064.69414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.C1CCN(CC1)CCN(CC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.C1CCN(CC1)CCN(CC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3.3C16H32O2/c1-3-10-19(11-4-1)22(17-18-9-5-6-12-20-18)16-15-21-13-7-2-8-14-21;3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1,3-6,9-12H,2,7-8,13-17H2;3*2-15H2,1H3,(H,17,18)