2-[(1-heptanoyloxy-3-hexanethioyloxy-propan-2-yl)oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(1-heptanoyloxy-3-hexanethioyloxy-propan-2-yl)oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(heptanoyloxymethyl)-2-hexanethioyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[1-(1-oxoheptoxy)-3-(1-sulfanylidenehexoxy)propan-2-yl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(1-heptanoyloxy-3-hexanethioyloxypropan-2-yl)oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(enanthyloxymethyl)-2-hexanethioyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C21H43NO7PS+ MolecularWeight: 484.607381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC(COC(=S)CCCCC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCC(=O)OCC(COC(=S)CCCCC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C21H42NO7PS/c1-6-8-10-12-13-20(23)26-17-19(18-27-21(31)14-11-9-7-2)29-30(24,25)28-16-15-22(3,4)5/h19H,6-18H2,1-5H3/p+1