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

Systemtic Name: [1-[bis(1-oxidanylhexadecan-3-yl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-trimethyl-azanium Openeye Name: [1-[bis[1-(2-hydroxyethyl)tetradecyl]amino]-2-hydroxy-2-oxo-ethyl]-trimethyl-ammonium CAS Name: [1-[bis(1-hydroxyhexadecan-3-yl)amino]-2-hydroxy-2-oxoethyl]-trimethylammonium IUPAC Name: [1-[bis(1-hydroxyhexadecan-3-yl)amino]-2-hydroxy-2-oxoethyl]-trimethylazanium Traditional Name: [1-[bis[1-(2-hydroxyethyl)tetradecyl]amino]-2-hydroxy-2-keto-ethyl]-trimethyl-ammonium Formula: C37H77N2O4+ MolecularWeight: 614.01828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCO)N(C(CCCCCCCCCCCCC)CCO)C(C(=O)O)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(CCO)N(C(CCCCCCCCCCCCC)CCO)C(C(=O)O)[N+](C)(C)C

InChI

InChI=1S/C37H76N2O4/c1-6-8-10-12-14-16-18-20-22-24-26-28-34(30-32-40)38(36(37(42)43)39(3,4)5)35(31-33-41)29-27-25-23-21-19-17-15-13-11-9-7-2/h34-36,40-41H,6-33H2,1-5H3/p+1