1-(1-methylpiperazin-1-ium-1-yl)-3-octadecylsulfanyl-propan-2-ol

Systemtic Name: 1-(1-methylpiperazin-1-ium-1-yl)-3-octadecylsulfanyl-propan-2-ol Openeye Name: 1-(1-methylpiperazin-1-ium-1-yl)-3-octadecylsulfanyl-propan-2-ol CAS Name: 1-(1-methyl-1-piperazin-1-iumyl)-3-(octadecylthio)-2-propanol IUPAC Name: 1-(1-methylpiperazin-1-ium-1-yl)-3-octadecylsulfanylpropan-2-ol Traditional Name: 1-(1-methylpiperazin-1-ium-1-yl)-3-(stearylthio)propan-2-ol Formula: C26H55N2OS+ MolecularWeight: 443.7927

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(C[N+]1(CCNCC1)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(C[N+]1(CCNCC1)C)O

InChI

InChI=1S/C26H55N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-25-26(29)24-28(2)21-19-27-20-22-28/h26-27,29H,3-25H2,1-2H3/q+1