18-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl methanesulfonate

Systemtic Name: 18-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl methanesulfonate Openeye Name: 18-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl methanesulfonate CAS Name: methanesulfonic acid 18-[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]octadecyl ester IUPAC Name: 18-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl methanesulfonate Traditional Name: methanesulfonic acid 18-[[6-(4-methylpiperazino)nicotinoyl]amino]octadecyl ester Formula: C30H54N4O4S MolecularWeight: 566.83916

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C30H54N4O4S/c1-33-22-24-34(25-23-33)29-20-19-28(27-32-29)30(35)31-21-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26-38-39(2,36)37/h19-20,27H,3-18,21-26H2,1-2H3,(H,31,35)