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methyl sulfate; trimethyl-[4-(octadecanoylamino)phenyl]azanium

methyl sulfate; trimethyl-[4-(octadecanoylamino)phenyl]azanium

Systemtic Name:methyl sulfate; trimethyl-[4-(octadecanoylamino)phenyl]azanium
Openeye Name:methyl sulfate; trimethyl-[4-(octadecanoylamino)phenyl]ammonium
CAS Name:methyl sulfate; trimethyl-[4-(1-oxooctadecylamino)phenyl]ammonium
IUPAC Name:methyl sulfate; trimethyl-[4-(octadecanoylamino)phenyl]azanium
Traditional Name:methyl sulfate; trimethyl-(4-stearamidophenyl)ammonium
Formula: C28H52N2O5S
MolecularWeight: 528.78788
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)[N+](C)(C)C.COS(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)[N+](C)(C)C.COS(=O)(=O)[O-]


InChI

InChI=1S/C27H48N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-25-21-23-26(24-22-25)29(2,3)4;1-5-6(2,3)4/h21-24H,5-20H2,1-4H3;1H3,(H,2,3,4)


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