1-hexadecylisoquinolin-2-ium bromide

Systemtic Name: 1-hexadecylisoquinolin-2-ium bromide Openeye Name: 1-hexadecylisoquinolin-2-ium bromide CAS Name: 1-hexadecylisoquinolin-2-ium bromide IUPAC Name: 1-hexadecylisoquinolin-2-ium bromide Traditional Name: 1-cetylisoquinolin-2-ium bromide Formula: C25H40BrN MolecularWeight: 434.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=[NH+]C=CC2=CC=CC=C21.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=[NH+]C=CC2=CC=CC=C21.[Br-]

InChI

InChI=1S/C25H39N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-24-19-17-16-18-23(24)21-22-26-25;/h16-19,21-22H,2-15,20H2,1H3;1H