1-dodecylisoquinolin-2-ium; 2-methylnonadecan-2-ylazanium; bromide

Systemtic Name: 1-dodecylisoquinolin-2-ium; 2-methylnonadecan-2-ylazanium; bromide Openeye Name: 1,1-dimethyloctadecylammonium; 1-dodecylisoquinolin-2-ium; bromide CAS Name: 1-dodecylisoquinolin-2-ium; 2-methylnonadecan-2-ylammonium; bromide IUPAC Name: 1-dodecylisoquinolin-2-ium; 2-methylnonadecan-2-ylazanium; bromide Traditional Name: 1,1-dimethyloctadecylammonium; 1-laurylisoquinolin-2-ium; bromide Formula: C41H76BrN2+ MolecularWeight: 676.95954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)(C)[NH3+].CCCCCCCCCCCCC1=[NH+]C=CC2=CC=CC=C21.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)(C)[NH3+].CCCCCCCCCCCCC1=[NH+]C=CC2=CC=CC=C21.[Br-]

InChI

InChI=1S/C21H31N.C20H43N.BrH/c1-2-3-4-5-6-7-8-9-10-11-16-21-20-15-13-12-14-19(20)17-18-22-21;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)21;/h12-15,17-18H,2-11,16H2,1H3;4-19,21H2,1-3H3;1H/p+1