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dimethyl-(2-octadecoxy-2-oxidanylidene-ethyl)-(phenylmethyl)azanium

dimethyl-(2-octadecoxy-2-oxidanylidene-ethyl)-(phenylmethyl)azanium

Systemtic Name:dimethyl-(2-octadecoxy-2-oxidanylidene-ethyl)-(phenylmethyl)azanium
Openeye Name:benzyl-dimethyl-(2-octadecoxy-2-oxo-ethyl)ammonium
CAS Name:dimethyl-(2-octadecoxy-2-oxoethyl)-(phenylmethyl)ammonium
IUPAC Name:benzyl-dimethyl-(2-octadecoxy-2-oxoethyl)azanium
Traditional Name:benzyl-(2-keto-2-stearyloxy-ethyl)-dimethyl-ammonium
Formula: C29H52NO2+
MolecularWeight: 446.72868
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC1=CC=CC=C1


InChI

InChI=1S/C29H52NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32-29(31)27-30(2,3)26-28-23-20-19-21-24-28/h19-21,23-24H,4-18,22,25-27H2,1-3H3/q+1


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