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dimethyl-[(E)-12-oxidanyloctadec-9-enyl]-(phenylmethyl)azanium

dimethyl-[(E)-12-oxidanyloctadec-9-enyl]-(phenylmethyl)azanium

Systemtic Name:dimethyl-[(E)-12-oxidanyloctadec-9-enyl]-(phenylmethyl)azanium
Openeye Name:benzyl-[(E)-12-hydroxyoctadec-9-enyl]-dimethyl-ammonium
CAS Name:[(E)-12-hydroxyoctadec-9-enyl]-dimethyl-(phenylmethyl)ammonium
IUPAC Name:benzyl-[(E)-12-hydroxyoctadec-9-enyl]-dimethylazanium
Traditional Name:benzyl-[(E)-12-hydroxyoctadec-9-enyl]-dimethyl-ammonium
Formula: C27H48NO+
MolecularWeight: 402.67612
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC[N+](C)(C)CC1=CC=CC=C1)O


Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC[N+](C)(C)CC1=CC=CC=C1)O


InChI

InChI=1S/C27H48NO/c1-4-5-6-17-22-27(29)23-18-12-10-8-7-9-11-13-19-24-28(2,3)25-26-20-15-14-16-21-26/h12,14-16,18,20-21,27,29H,4-11,13,17,19,22-25H2,1-3H3/q+1/b18-12+


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