S-[2-(1-methylpiperazin-1-ium-1-yl)ethyl] hexadecanethioate

Systemtic Name: S-[2-(1-methylpiperazin-1-ium-1-yl)ethyl] hexadecanethioate Openeye Name: S-[2-(1-methylpiperazin-1-ium-1-yl)ethyl] hexadecanethioate CAS Name: hexadecanethioic acid S-[2-(1-methyl-1-piperazin-1-iumyl)ethyl] ester IUPAC Name: S-[2-(1-methylpiperazin-1-ium-1-yl)ethyl] hexadecanethioate Traditional Name: hexadecanethioic acid S-[2-(1-methylpiperazin-1-ium-1-yl)ethyl] ester Formula: C23H47N2OS+ MolecularWeight: 399.69708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)SCC[N+]1(CCNCC1)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)SCC[N+]1(CCNCC1)C

InChI

InChI=1S/C23H47N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(26)27-22-21-25(2)19-17-24-18-20-25/h24H,3-22H2,1-2H3/q+1