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

Systemtic Name: methyl sulfate; trimethyl-[2-oxidanylidene-2-[(4-oxidanyl-5-tetradecyl-1,2-oxazol-3-yl)amino]ethyl]azanium Openeye Name: [2-[(4-hydroxy-5-tetradecyl-isoxazol-3-yl)amino]-2-oxo-ethyl]-trimethyl-ammonium; methyl sulfate CAS Name: [2-[(4-hydroxy-5-tetradecyl-3-isoxazolyl)amino]-2-oxoethyl]-trimethylammonium; methyl sulfate IUPAC Name: [2-[(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-trimethylazanium; methyl sulfate Traditional Name: [2-[(4-hydroxy-5-myristyl-isoxazol-3-yl)amino]-2-keto-ethyl]-trimethyl-ammonium; methyl sulfate Formula: C23H45N3O7S MolecularWeight: 507.6843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41N3O3.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-21(27)22(24-28-19)23-20(26)18-25(2,3)4;1-5-6(2,3)4/h5-18H2,1-4H3,(H-,23,24,26,27);1H3,(H,2,3,4)