2-[[2-[9-[2-[3-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoylamino]nonanoyloxy]-3-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-[9-[2-[3-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoylamino]nonanoyloxy]-3-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-[9-[[2-[3-(2,6-dichloroanilino)phenyl]acetyl]amino]nonanoyloxy]-3-octadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-[9-[[2-[3-(2,6-dichloroanilino)phenyl]-1-oxoethyl]amino]-1-oxononoxy]-3-(1-oxooctadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-[9-[[2-[3-(2,6-dichloroanilino)phenyl]acetyl]amino]nonanoyloxy]-3-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-[9-[[2-[3-(2,6-dichloroanilino)phenyl]acetyl]amino]nonanoyloxy]-3-stearoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C49H81Cl2N3O9P+ MolecularWeight: 958.061901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCNC(=O)CC1=CC(=CC=C1)NC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCNC(=O)CC1=CC(=CC=C1)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C49H80Cl2N3O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-47(56)60-39-43(40-62-64(58,59)61-36-35-54(2,3)4)63-48(57)33-24-21-18-19-22-25-34-52-46(55)38-41-28-26-29-42(37-41)53-49-44(50)30-27-31-45(49)51/h26-31,37,43,53H,5-25,32-36,38-40H2,1-4H3,(H-,52,55,58,59)/p+1