3-[(2-heptadecyl-1,3-dithiolan-4-yl)methyl]-1,3-thiazol-3-ium bromide

Systemtic Name: 3-[(2-heptadecyl-1,3-dithiolan-4-yl)methyl]-1,3-thiazol-3-ium bromide Openeye Name: 3-[(2-heptadecyl-1,3-dithiolan-4-yl)methyl]thiazol-3-ium bromide CAS Name: 3-[(2-heptadecyl-1,3-dithiolan-4-yl)methyl]thiazol-3-ium bromide IUPAC Name: 3-[(2-heptadecyl-1,3-dithiolan-4-yl)methyl]-1,3-thiazol-3-ium bromide Traditional Name: 3-[(2-heptadecyl-1,3-dithiolan-4-yl)methyl]thiazol-3-ium bromide Formula: C24H44BrNS3 MolecularWeight: 522.71186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1SCC(S1)C[N+]2=CSC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1SCC(S1)C[N+]2=CSC=C2.[Br-]

InChI

InChI=1S/C24H44NS3.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-21-23(28-24)20-25-18-19-26-22-25;/h18-19,22-24H,2-17,20-21H2,1H3;1H/q+1;/p-1