16-[[6-(4-butylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl nitrate

Systemtic Name: 16-[[6-(4-butylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl nitrate Openeye Name: 16-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl nitrate CAS Name: nitric acid 16-[[[6-(4-butyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]hexadecyl ester IUPAC Name: 16-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl nitrate Traditional Name: nitric acid 16-[[6-(4-butylpiperazino)nicotinoyl]amino]hexadecyl ester Formula: C30H53N5O4 MolecularWeight: 547.77292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCO[N+](=O)[O-]

Isomeric SMILES

CCCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C30H53N5O4/c1-2-3-21-33-22-24-34(25-23-33)29-19-18-28(27-32-29)30(36)31-20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-26-39-35(37)38/h18-19,27H,2-17,20-26H2,1H3,(H,31,36)