methyl sulfate; trimethyl-[1-(4-methylphenyl)dodecyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[1-(4-methylphenyl)dodecyl]azanium Openeye Name: methyl sulfate; trimethyl-[1-(p-tolyl)dodecyl]ammonium CAS Name: methyl sulfate; trimethyl-[1-(4-methylphenyl)dodecyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[1-(4-methylphenyl)dodecyl]azanium Traditional Name: methyl sulfate; trimethyl-[1-(p-tolyl)dodecyl]ammonium Formula: C23H43NO4S MolecularWeight: 429.65682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CC=C(C=C1)C)[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(C1=CC=C(C=C1)C)[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H40N.CH4O4S/c1-6-7-8-9-10-11-12-13-14-15-22(23(3,4)5)21-18-16-20(2)17-19-21;1-5-6(2,3)4/h16-19,22H,6-15H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1