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1-octadecylisoquinolin-2-ium chloride

1-octadecylisoquinolin-2-ium chloride

Systemtic Name:1-octadecylisoquinolin-2-ium chloride
Openeye Name:1-octadecylisoquinolin-2-ium chloride
CAS Name:1-octadecylisoquinolin-2-ium chloride
IUPAC Name:1-octadecylisoquinolin-2-ium chloride
Traditional Name:1-stearylisoquinolin-2-ium chloride
Formula: C27H44ClN
MolecularWeight: 418.09796
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=[NH+]C=CC2=CC=CC=C21.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=[NH+]C=CC2=CC=CC=C21.[Cl-]


InChI

InChI=1S/C27H43N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-26-21-19-18-20-25(26)23-24-28-27;/h18-21,23-24H,2-17,22H2,1H3;1H


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