methyl-(3-oxidanylidene-1-tetradecoxy-tetradecan-2-yl)-di(propan-2-yl)azanium; methyl sulfate

Systemtic Name: methyl-(3-oxidanylidene-1-tetradecoxy-tetradecan-2-yl)-di(propan-2-yl)azanium; methyl sulfate Openeye Name: diisopropyl-methyl-[2-oxo-1-(tetradecoxymethyl)tridecyl]ammonium; methyl sulfate CAS Name: methyl-(3-oxo-1-tetradecoxytetradecan-2-yl)-di(propan-2-yl)ammonium; methyl sulfate IUPAC Name: methyl-(3-oxo-1-tetradecoxytetradecan-2-yl)-di(propan-2-yl)azanium; methyl sulfate Traditional Name: diisopropyl-[2-keto-1-(myristyloxymethyl)tridecyl]-methyl-ammonium; methyl sulfate Formula: C36H75NO6S MolecularWeight: 650.0488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCC(C(=O)CCCCCCCCCCC)[N+](C)(C(C)C)C(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOCC(C(=O)CCCCCCCCCCC)[N+](C)(C(C)C)C(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C35H72NO2.CH4O4S/c1-8-10-12-14-16-18-19-20-22-24-26-28-30-38-31-34(36(7,32(3)4)33(5)6)35(37)29-27-25-23-21-17-15-13-11-9-2;1-5-6(2,3)4/h32-34H,8-31H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1