[2-[4-[2-(6-methoxy-1-methyl-naphthalen-2-yl)ethanoylamino]butanoyloxy]-1-oxidanyl-4-oxidanylidene-henicosan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[4-[2-(6-methoxy-1-methyl-naphthalen-2-yl)ethanoylamino]butanoyloxy]-1-oxidanyl-4-oxidanylidene-henicosan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[2-hydroxy-1-[4-[[2-(6-methoxy-1-methyl-2-naphthyl)acetyl]amino]butanoyloxy]ethyl]-2-oxo-nonadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hydroxy-2-[4-[[2-(6-methoxy-1-methyl-2-naphthalenyl)-1-oxoethyl]amino]-1-oxobutoxy]-4-oxoheneicosan-3-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-hydroxy-2-[4-[[2-(6-methoxy-1-methylnaphthalen-2-yl)acetyl]amino]butanoyloxy]-4-oxohenicosan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[2-hydroxy-1-[4-[[2-(6-methoxy-1-methyl-2-naphthyl)acetyl]amino]butanoyloxy]ethyl]-2-keto-nonadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H73N2O10P MolecularWeight: 821.031581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCNC(=O)CC1=C(C2=C(C=C1)C=C(C=C2)OC)C)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCNC(=O)CC1=C(C2=C(C=C1)C=C(C=C2)OC)C)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C44H73N2O10P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-40(48)44(56-57(51,52)54-31-30-46(3,4)5)41(34-47)55-43(50)24-22-29-45-42(49)33-36-25-26-37-32-38(53-6)27-28-39(37)35(36)2/h25-28,32,41,44,47H,7-24,29-31,33-34H2,1-6H3,(H-,45,49,51,52)