2-[[2-[8-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-1-ium-1-yl]ethanoylamino]octanoyloxy]-3-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-[8-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-1-ium-1-yl]ethanoylamino]octanoyloxy]-3-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-[8-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-1-ium-1-yl]acetyl]amino]octanoyloxy]-3-octadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-[8-[[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-1-indol-1-iumyl]-1-oxoethyl]amino]-1-oxooctoxy]-3-(1-oxooctadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-[8-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-1-ium-1-yl]acetyl]amino]octanoyloxy]-3-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-[8-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-1-ium-1-yl]acetyl]amino]octanoyloxy]-3-stearoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C53H85ClN3O11P+2 MolecularWeight: 1006.682261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCNC(=O)C[N+]1(C(=CC2=C1C=CC(=C2)OC)C)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCNC(=O)C[N+]1(C(=CC2=C1C=CC(=C2)OC)C)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C53H83ClN3O11P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-27-51(59)65-41-48(42-67-69(62,63)66-37-36-56(3,4)5)68-52(60)28-25-22-20-23-26-35-55-50(58)40-57(53(61)44-29-31-46(54)32-30-44)43(2)38-45-39-47(64-6)33-34-49(45)57/h29-34,38-39,48H,7-28,35-37,40-42H2,1-6H3/p+2