(1-methoxy-2-methyl-1-oxidanylidene-pentadecan-2-yl)azanium; methyl sulfate

Systemtic Name: (1-methoxy-2-methyl-1-oxidanylidene-pentadecan-2-yl)azanium; methyl sulfate Openeye Name: (1-methoxycarbonyl-1-methyl-tetradecyl)ammonium; methyl sulfate CAS Name: (1-methoxy-2-methyl-1-oxopentadecan-2-yl)ammonium; methyl sulfate IUPAC Name: (1-methoxy-2-methyl-1-oxopentadecan-2-yl)azanium; methyl sulfate Traditional Name: (1-carbomethoxy-1-methyl-tetradecyl)ammonium; methyl sulfate Formula: C18H39NO6S MolecularWeight: 397.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)(C(=O)OC)[NH3+].COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(C)(C(=O)OC)[NH3+].COS(=O)(=O)[O-]

InChI

InChI=1S/C17H35NO2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(2,18)16(19)20-3;1-5-6(2,3)4/h4-15,18H2,1-3H3;1H3,(H,2,3,4)