trimethyl-[3,4,6-tris(oxidanyl)-4-(1-oxidanylhexadecyl)-2-phosphonooxy-henicosyl]azanium

Systemtic Name: trimethyl-[3,4,6-tris(oxidanyl)-4-(1-oxidanylhexadecyl)-2-phosphonooxy-henicosyl]azanium Openeye Name: trimethyl-[3,4,6-trihydroxy-4-(1-hydroxyhexadecyl)-2-phosphonooxy-henicosyl]ammonium CAS Name: trimethyl-[3,4,6-trihydroxy-4-(1-hydroxyhexadecyl)-2-phosphonooxyheneicosyl]ammonium IUPAC Name: trimethyl-[3,4,6-trihydroxy-4-(1-hydroxyhexadecyl)-2-phosphonooxyhenicosyl]azanium Traditional Name: trimethyl-[3,4,6-trihydroxy-4-(1-hydroxyhexadecyl)-2-phosphonooxy-heneicosyl]ammonium Formula: C40H85NO8P+ MolecularWeight: 739.078561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(C(CCCCCCCCCCCCCCC)O)(C(C(C[N+](C)(C)C)OP(=O)(O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(C(CCCCCCCCCCCCCCC)O)(C(C(C[N+](C)(C)C)OP(=O)(O)O)O)O)O

InChI

InChI=1S/C40H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36(42)34-40(45,39(44)37(35-41(3,4)5)49-50(46,47)48)38(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36-39,42-45H,6-35H2,1-5H3,(H-,46,47,48)/p+1