1-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-3-methyl-imidazol-3-ium bromide

Systemtic Name: 1-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-3-methyl-imidazol-3-ium bromide Openeye Name: 1-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-3-methyl-imidazol-3-ium bromide CAS Name: 1-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-3-methylimidazol-3-ium bromide IUPAC Name: 1-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-3-methylimidazol-3-ium bromide Traditional Name: 1-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-3-methyl-imidazol-3-ium bromide Formula: C25H47BrN2OS MolecularWeight: 503.62248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(S1)CN2C=C[N+](=C2)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(S1)CN2C=C[N+](=C2)C.[Br-]

InChI

InChI=1S/C25H47N2OS.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-28-22-24(29-25)21-27-20-19-26(2)23-27;/h19-20,23-25H,3-18,21-22H2,1-2H3;1H/q+1;/p-1