ethyl sulfate; [3-methyl-1,6-bis(octadecanoylamino)hexan-3-yl]azanium

Systemtic Name: ethyl sulfate; [3-methyl-1,6-bis(octadecanoylamino)hexan-3-yl]azanium Openeye Name: ethyl sulfate; [1-methyl-4-(octadecanoylamino)-1-[2-(octadecanoylamino)ethyl]butyl]ammonium CAS Name: ethyl sulfate; [3-methyl-1,6-bis(1-oxooctadecylamino)hexan-3-yl]ammonium IUPAC Name: ethyl sulfate; [3-methyl-1,6-bis(octadecanoylamino)hexan-3-yl]azanium Traditional Name: ethyl sulfate; [1-methyl-4-stearamido-1-(2-stearamidoethyl)butyl]ammonium Formula: C45H93N3O6S MolecularWeight: 804.30142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCCC(C)(CCNC(=O)CCCCCCCCCCCCCCCCC)[NH3+].CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCCC(C)(CCNC(=O)CCCCCCCCCCCCCCCCC)[NH3+].CCOS(=O)(=O)[O-]

InChI

InChI=1S/C43H87N3O2.C2H6O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-41(47)45-39-34-37-43(3,44)38-40-46-42(48)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-2-6-7(3,4)5/h4-40,44H2,1-3H3,(H,45,47)(H,46,48);2H2,1H3,(H,3,4,5)