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dimethyl(1-phenyltridecan-2-yl)azanium; octadecanoate

dimethyl(1-phenyltridecan-2-yl)azanium; octadecanoate

Systemtic Name:dimethyl(1-phenyltridecan-2-yl)azanium; octadecanoate
Openeye Name:1-benzyldodecyl(dimethyl)ammonium; octadecanoate
CAS Name:dimethyl(1-phenyltridecan-2-yl)ammonium; octadecanoate
IUPAC Name:dimethyl(1-phenyltridecan-2-yl)azanium; octadecanoate
Traditional Name:1-benzyldodecyl(dimethyl)ammonium; stearate
Formula: C39H73NO2
MolecularWeight: 588.00242
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)C


InChI

InChI=1S/C21H37N.C18H36O2/c1-4-5-6-7-8-9-10-11-15-18-21(22(2)3)19-20-16-13-12-14-17-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-14,16-17,21H,4-11,15,18-19H2,1-3H3;2-17H2,1H3,(H,19,20)


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