[1-[bis(1-oxidanyloctadecan-3-yl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-trimethyl-azanium

Systemtic Name: [1-[bis(1-oxidanyloctadecan-3-yl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-trimethyl-azanium Openeye Name: [1-[bis[1-(2-hydroxyethyl)hexadecyl]amino]-2-hydroxy-2-oxo-ethyl]-trimethyl-ammonium CAS Name: [1-[bis(1-hydroxyoctadecan-3-yl)amino]-2-hydroxy-2-oxoethyl]-trimethylammonium IUPAC Name: [1-[bis(1-hydroxyoctadecan-3-yl)amino]-2-hydroxy-2-oxoethyl]-trimethylazanium Traditional Name: [1-[bis[1-(2-hydroxyethyl)hexadecyl]amino]-2-hydroxy-2-keto-ethyl]-trimethyl-ammonium Formula: C41H85N2O4+ MolecularWeight: 670.1246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCO)N(C(CCCCCCCCCCCCCCC)CCO)C(C(=O)O)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCO)N(C(CCCCCCCCCCCCCCC)CCO)C(C(=O)O)[N+](C)(C)C

InChI

InChI=1S/C41H84N2O4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(34-36-44)42(40(41(46)47)43(3,4)5)39(35-37-45)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38-40,44-45H,6-37H2,1-5H3/p+1