4-(dimethylamino)butyl 2-(2-oxidanylidenebutyl)nonadecyl hydrogen phosphate

Systemtic Name: 4-(dimethylamino)butyl 2-(2-oxidanylidenebutyl)nonadecyl hydrogen phosphate Openeye Name: 4-(dimethylamino)butyl 2-(2-oxobutyl)nonadecyl hydrogen phosphate CAS Name: 4-(dimethylamino)butyl 2-(2-oxobutyl)nonadecyl hydrogen phosphate IUPAC Name: 4-(dimethylamino)butyl 2-(2-oxobutyl)nonadecyl hydrogen phosphate Traditional Name: 4-(dimethylamino)butyl 2-(2-ketobutyl)nonadecyl hydrogen phosphate Formula: C29H60NO5P MolecularWeight: 533.764161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCCCN(C)C

InChI

InChI=1S/C29H60NO5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(26-29(31)6-2)27-35-36(32,33)34-25-22-21-24-30(3)4/h28H,5-27H2,1-4H3,(H,32,33)