12-[[3-(disulfanyl)-2-pyridin-2-yl-propanoyl]amino]dodecylazanium

Systemtic Name: 12-[[3-(disulfanyl)-2-pyridin-2-yl-propanoyl]amino]dodecylazanium Openeye Name: 12-[[3-(disulfanyl)-2-(2-pyridyl)propanoyl]amino]dodecylammonium CAS Name: 12-[[3-(disulfanyl)-1-oxo-2-(2-pyridinyl)propyl]amino]dodecylammonium IUPAC Name: 12-[[3-(disulfanyl)-2-pyridin-2-ylpropanoyl]amino]dodecylazanium Traditional Name: 12-[[3-(disulfanyl)-2-(2-pyridyl)propanoyl]amino]dodecylammonium Formula: C20H36N3OS2+ MolecularWeight: 398.64934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(CSS)C(=O)NCCCCCCCCCCCC[NH3+]

Isomeric SMILES

C1=CC=NC(=C1)C(CSS)C(=O)NCCCCCCCCCCCC[NH3+]

InChI

InChI=1S/C20H35N3OS2/c21-14-10-7-5-3-1-2-4-6-8-11-16-23-20(24)18(17-26-25)19-13-9-12-15-22-19/h9,12-13,15,18,25H,1-8,10-11,14,16-17,21H2,(H,23,24)/p+1