methyl sulfate; trimethyl-[2-[(4-oxidanyl-5-tetradecyl-1,2-oxazol-3-yl)amino]ethyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[2-[(4-oxidanyl-5-tetradecyl-1,2-oxazol-3-yl)amino]ethyl]azanium Openeye Name: 2-[(4-hydroxy-5-tetradecyl-isoxazol-3-yl)amino]ethyl-trimethyl-ammonium; methyl sulfate CAS Name: 2-[(4-hydroxy-5-tetradecyl-3-isoxazolyl)amino]ethyl-trimethylammonium; methyl sulfate IUPAC Name: 2-[(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)amino]ethyl-trimethylazanium; methyl sulfate Traditional Name: 2-[(4-hydroxy-5-myristyl-isoxazol-3-yl)amino]ethyl-trimethyl-ammonium; methyl sulfate Formula: C23H47N3O6S MolecularWeight: 493.70078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(C(=NO1)NCC[N+](C)(C)C)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(C(=NO1)NCC[N+](C)(C)C)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H43N3O2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(26)22(24-27-20)23-18-19-25(2,3)4;1-5-6(2,3)4/h5-19H2,1-4H3,(H-,23,24,26);1H3,(H,2,3,4)