2,3-bis(oxidanyl)propyl-dodecyl-methyl-propan-2-yl-azanium; methyl sulfate

Systemtic Name: 2,3-bis(oxidanyl)propyl-dodecyl-methyl-propan-2-yl-azanium; methyl sulfate Openeye Name: 2,3-dihydroxypropyl-dodecyl-isopropyl-methyl-ammonium; methyl sulfate CAS Name: 2,3-dihydroxypropyl-dodecyl-methyl-propan-2-ylammonium; methyl sulfate IUPAC Name: 2,3-dihydroxypropyl-dodecyl-methyl-propan-2-ylazanium; methyl sulfate Traditional Name: glyceryl-isopropyl-lauryl-methyl-ammonium; methyl sulfate Formula: C20H45NO6S MolecularWeight: 427.6394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(CC(CO)O)C(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(CC(CO)O)C(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H42NO2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-20(4,18(2)3)16-19(22)17-21;1-5-6(2,3)4/h18-19,21-22H,5-17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1