2-dodecylisoquinolin-2-ium bromide

Systemtic Name: 2-dodecylisoquinolin-2-ium bromide Openeye Name: 2-dodecylisoquinolin-2-ium bromide CAS Name: 2-dodecylisoquinolin-2-ium bromide IUPAC Name: 2-dodecylisoquinolin-2-ium bromide Traditional Name: 2-laurylisoquinolin-2-ium bromide Formula: C21H32BrN MolecularWeight: 378.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]

InChI

InChI=1S/C21H32N.BrH/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;/h11-12,14-16,18-19H,2-10,13,17H2,1H3;1H/q+1;/p-1