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bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]-(phenylmethyl)azanium

bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]-(phenylmethyl)azanium

Systemtic Name:bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]-(phenylmethyl)azanium
Openeye Name:benzyl-bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]ammonium
CAS Name:bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]-(phenylmethyl)ammonium
IUPAC Name:benzyl-bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]azanium
Traditional Name:benzyl-bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]ammonium
Formula: C29H52NO2+
MolecularWeight: 446.72868
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1


InChI

InChI=1S/C29H52NO2/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/h9-10,17-19,21-22,31-32H,2-8,11-16,20,23-28H2,1H3/q+1/b10-9-


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