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methyl sulfate; trimethyl(1-phenylnonadecyl)azanium

methyl sulfate; trimethyl(1-phenylnonadecyl)azanium

Systemtic Name:methyl sulfate; trimethyl(1-phenylnonadecyl)azanium
Openeye Name:methyl sulfate; trimethyl(1-phenylnonadecyl)ammonium
CAS Name:methyl sulfate; trimethyl(1-phenylnonadecyl)ammonium
IUPAC Name:methyl sulfate; trimethyl(1-phenylnonadecyl)azanium
Traditional Name:methyl sulfate; trimethyl(1-phenylnonadecyl)ammonium
Formula: C29H55NO4S
MolecularWeight: 513.8163
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H52N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(29(2,3)4)27-24-21-20-22-25-27;1-5-6(2,3)4/h20-22,24-25,28H,5-19,23,26H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


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