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

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

Systemtic Name:heptadecyl-bis(2-hydroxyethyl)-(phenylmethyl)azanium
Openeye Name:benzyl-heptadecyl-bis(2-hydroxyethyl)ammonium
CAS Name:heptadecyl-bis(2-hydroxyethyl)-(phenylmethyl)ammonium
IUPAC Name:benzyl-heptadecyl-bis(2-hydroxyethyl)azanium
Traditional Name:benzyl-heptadecyl-bis(2-hydroxyethyl)ammonium
Formula: C28H52NO2+
MolecularWeight: 434.71798
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H52NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29(23-25-30,24-26-31)27-28-20-17-16-18-21-28/h16-18,20-21,30-31H,2-15,19,22-27H2,1H3/q+1


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