4-(methylamino)butyl 2-(2-oxidanylidenepropyl)icosyl hydrogen phosphate

Systemtic Name: 4-(methylamino)butyl 2-(2-oxidanylidenepropyl)icosyl hydrogen phosphate Openeye Name: 2-acetonylicosyl 4-(methylamino)butyl hydrogen phosphate CAS Name: 4-(methylamino)butyl 2-(2-oxopropyl)eicosyl hydrogen phosphate IUPAC Name: 4-(methylamino)butyl 2-(2-oxopropyl)icosyl hydrogen phosphate Traditional Name: 2-acetonyleicosyl 4-(methylamino)butyl hydrogen phosphate Formula: C28H58NO5P MolecularWeight: 519.737581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)C)COP(=O)(O)OCCCCNC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)C)COP(=O)(O)OCCCCNC

InChI

InChI=1S/C28H58NO5P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28(25-27(2)30)26-34-35(31,32)33-24-21-20-23-29-3/h28-29H,4-26H2,1-3H3,(H,31,32)