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

Systemtic Name: S-[2-(1-methylpiperazin-1-ium-1-yl)ethyl] octadecanethioate Openeye Name: S-[2-(1-methylpiperazin-1-ium-1-yl)ethyl] octadecanethioate CAS Name: octadecanethioic acid S-[2-(1-methyl-1-piperazin-1-iumyl)ethyl] ester IUPAC Name: S-[2-(1-methylpiperazin-1-ium-1-yl)ethyl] octadecanethioate Traditional Name: octadecanethioic acid S-[2-(1-methylpiperazin-1-ium-1-yl)ethyl] ester Formula: C25H51N2OS+ MolecularWeight: 427.75024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H51N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)29-24-23-27(2)21-19-26-20-22-27/h26H,3-24H2,1-2H3/q+1