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diethyl-[2-(octadecanoylamino)ethyl]-(phenylmethyl)azanium

diethyl-[2-(octadecanoylamino)ethyl]-(phenylmethyl)azanium

Systemtic Name:diethyl-[2-(octadecanoylamino)ethyl]-(phenylmethyl)azanium
Openeye Name:benzyl-diethyl-[2-(octadecanoylamino)ethyl]ammonium
CAS Name:diethyl-[2-(1-oxooctadecylamino)ethyl]-(phenylmethyl)ammonium
IUPAC Name:benzyl-diethyl-[2-(octadecanoylamino)ethyl]azanium
Traditional Name:benzyl-diethyl-(2-stearamidoethyl)ammonium
Formula: C31H57N2O+
MolecularWeight: 473.79708
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1


InChI

InChI=1S/C31H56N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-31(34)32-27-28-33(5-2,6-3)29-30-24-21-20-22-25-30/h20-22,24-25H,4-19,23,26-29H2,1-3H3/p+1


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