IUPAC Name :2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[(E)-octadec-9-enoyl]oxypropyl]amino]ethyl]-methyl-[2-[(E)-octadec-10-enoyl]oxypropyl]azanium;methylsulfate
InChI :InChI=1/C51H99N2O6.CH4O4S/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-50(56)58-48(5)43-52(42-46(3)54)40-41-53(7,44-47(4)55)45-49(6)59-51(57)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;1-5-6(2,3)4/h21-24,46-49,54-55H,8-20,25-45H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1/b23-21+,24-22+;
Std.InChI: InChI=1S/C51H99N2O6.CH4O4S/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-50(56)58-48(5)43-52(42-46(3)54)40-41-53(7,44-47(4)55)45-49(6)59-51(57)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;1-5-6(2,3)4/h21-24,46-49,54-55H,8-20,25-45H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1/b23-21+,24-22+;
InChIKey :TWNJSZBYPPKSFE-RHHQELCSBK
Std.InChIKey: TWNJSZBYPPKSFE-BAYNMDCWSA-M
SMILES :[O-]S(=O)(=O)OC.O=C(OC(C)C[N+](CC(O)C)(C)CCN(CC(O)C)CC(OC(=O)CCCCCCC/C=C/CCCCCCCC)C)CCCCCCCC/C=C/CCCCCCC