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diethyl-[4-(octadecanoylamino)pentyl]-(phenylmethyl)azanium

diethyl-[4-(octadecanoylamino)pentyl]-(phenylmethyl)azanium

Systemtic Name:diethyl-[4-(octadecanoylamino)pentyl]-(phenylmethyl)azanium
Openeye Name:benzyl-diethyl-[4-(octadecanoylamino)pentyl]ammonium
CAS Name:diethyl-[4-(1-oxooctadecylamino)pentyl]-(phenylmethyl)ammonium
IUPAC Name:benzyl-diethyl-[4-(octadecanoylamino)pentyl]azanium
Traditional Name:benzyl-diethyl-(4-stearamidopentyl)ammonium
Formula: C34H63N2O+
MolecularWeight: 515.87682
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(C)CCC[N+](CC)(CC)CC1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(C)CCC[N+](CC)(CC)CC1=CC=CC=C1


InChI

InChI=1S/C34H62N2O/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29-34(37)35-32(4)26-25-30-36(6-2,7-3)31-33-27-22-21-23-28-33/h21-23,27-28,32H,5-20,24-26,29-31H2,1-4H3/p+1


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