2-[[[4-[acetyloxymethyl(octadecoxymethyl)amino]-6-[methoxymethyl(octadecoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-bis(2-hydroxyethyl)-methyl-azanium; methyl sulfate

Systemtic Name: 2-[[[4-[acetyloxymethyl(octadecoxymethyl)amino]-6-[methoxymethyl(octadecoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-bis(2-hydroxyethyl)-methyl-azanium; methyl sulfate Openeye Name: 2-[[[4-[acetoxymethyl(octadecoxymethyl)amino]-6-[methoxymethyl(octadecoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-bis(2-hydroxyethyl)-methyl-ammonium; methyl sulfate CAS Name: 2-[[[4-[acetyloxymethyl(octadecoxymethyl)amino]-6-[methoxymethyl(octadecoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-bis(2-hydroxyethyl)-methylammonium; methyl sulfate IUPAC Name: 2-[[[4-[acetyloxymethyl(octadecoxymethyl)amino]-6-[methoxymethyl(octadecoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-bis(2-hydroxyethyl)-methylazanium; methyl sulfate Traditional Name: 2-[[[4-[acetoxymethyl(stearyloxymethyl)amino]-6-[methoxymethyl(stearyloxymethyl)amino]-s-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-bis(2-hydroxyethyl)-methyl-ammonium; methyl sulfate Formula: C57H115N7O13S MolecularWeight: 1138.6271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCN(COC)C1=NC(=NC(=N1)N(COCCCCCCCCCCCCCCCCCC)COC(=O)C)N(COC)COCC[N+](C)(CCO)CCO.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCN(COC)C1=NC(=NC(=N1)N(COCCCCCCCCCCCCCCCCCC)COC(=O)C)N(COC)COCC[N+](C)(CCO)CCO.COS(=O)(=O)[O-]

InChI

InChI=1S/C56H112N7O9.CH4O4S/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44-69-49-60(47-67-5)54-57-55(61(48-68-6)50-71-46-41-63(4,39-42-64)40-43-65)59-56(58-54)62(52-72-53(3)66)51-70-45-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-5-6(2,3)4/h64-65H,7-52H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1