12-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]dodecyl nitrate

Systemtic Name: 12-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]dodecyl nitrate Openeye Name: 12-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]dodecyl nitrate CAS Name: nitric acid 12-[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]dodecyl ester IUPAC Name: 12-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]dodecyl nitrate Traditional Name: nitric acid 12-[[6-(4-methylpiperazino)nicotinoyl]amino]dodecyl ester Formula: C23H39N5O4 MolecularWeight: 449.58686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCO[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C23H39N5O4/c1-26-15-17-27(18-16-26)22-13-12-21(20-25-22)23(29)24-14-10-8-6-4-2-3-5-7-9-11-19-32-28(30)31/h12-13,20H,2-11,14-19H2,1H3,(H,24,29)