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bis(2-hydroxyethyl)-octadecyl-(phenylmethyl)azanium

Systemtic Name:	bis(2-hydroxyethyl)-octadecyl-(phenylmethyl)azanium
Openeye Name:	benzyl-bis(2-hydroxyethyl)-octadecyl-ammonium
CAS Name:	bis(2-hydroxyethyl)-octadecyl-(phenylmethyl)ammonium
IUPAC Name:	benzyl-bis(2-hydroxyethyl)-octadecylazanium
Traditional Name:	benzyl-bis(2-hydroxyethyl)-stearyl-ammonium
Formula:	C₂₉H₅₄NO₂+
MolecularWeight:	448.74456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1

InChI

InChI=1S/C29H54NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-26-31,25-27-32)28-29-21-18-17-19-22-29/h17-19,21-22,31-32H,2-16,20,23-28H2,1H3/q+1

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