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

Systemtic Name: 1-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-1-methyl-piperazin-1-ium bromide Openeye Name: 1-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-1-methyl-piperazin-1-ium bromide CAS Name: 1-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-1-methylpiperazin-1-ium bromide IUPAC Name: 1-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-1-methylpiperazin-1-ium bromide Traditional Name: 1-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-1-methyl-piperazin-1-ium bromide Formula: C26H53BrN2OS MolecularWeight: 521.68082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(S1)C[N+]2(CCNCC2)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(S1)C[N+]2(CCNCC2)C.[Br-]

InChI

InChI=1S/C26H53N2OS.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-29-24-25(30-26)23-28(2)21-19-27-20-22-28;/h25-27H,3-24H2,1-2H3;1H/q+1;/p-1