2-dodecylisoquinolin-2-ium chloride

Systemtic Name: 2-dodecylisoquinolin-2-ium chloride Openeye Name: 2-dodecylisoquinolin-2-ium chloride CAS Name: 2-dodecylisoquinolin-2-ium chloride IUPAC Name: 2-dodecylisoquinolin-2-ium chloride Traditional Name: 2-laurylisoquinolin-2-ium chloride Formula: C21H32ClN MolecularWeight: 333.93848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N.ClH/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