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2-octadecylisoquinolin-2-ium

2-octadecylisoquinolin-2-ium

Systemtic Name:2-octadecylisoquinolin-2-ium
Openeye Name:2-octadecylisoquinolin-2-ium
CAS Name:2-octadecylisoquinolin-2-ium
IUPAC Name:2-octadecylisoquinolin-2-ium
Traditional Name:2-stearylisoquinolin-2-ium
Formula: C27H44N+
MolecularWeight: 382.64496
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1


InChI

InChI=1S/C27H44N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-28-24-22-26-20-17-18-21-27(26)25-28/h17-18,20-22,24-25H,2-16,19,23H2,1H3/q+1


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