[4-methyl-1-[2-(2-triethylsilylfuran-3-yl)ethylsulfonyl]piperazin-1-ium-1-yl] dodecanoate

Systemtic Name: [4-methyl-1-[2-(2-triethylsilylfuran-3-yl)ethylsulfonyl]piperazin-1-ium-1-yl] dodecanoate Openeye Name: [4-methyl-1-[2-(2-triethylsilyl-3-furyl)ethylsulfonyl]piperazin-1-ium-1-yl] dodecanoate CAS Name: dodecanoic acid [4-methyl-1-[2-(2-triethylsilyl-3-furanyl)ethylsulfonyl]-1-piperazin-1-iumyl] ester IUPAC Name: [4-methyl-1-[2-(2-triethylsilylfuran-3-yl)ethylsulfonyl]piperazin-1-ium-1-yl] dodecanoate Traditional Name: lauric acid [4-methyl-1-[2-(2-triethylsilyl-3-furyl)ethylsulfonyl]piperazin-1-ium-1-yl] ester Formula: C29H55N2O5SSi+ MolecularWeight: 571.9079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)O[N+]1(CCN(CC1)C)S(=O)(=O)CCC2=C(OC=C2)[Si](CC)(CC)CC

Isomeric SMILES

CCCCCCCCCCCC(=O)O[N+]1(CCN(CC1)C)S(=O)(=O)CCC2=C(OC=C2)[Si](CC)(CC)CC

InChI

InChI=1S/C29H55N2O5SSi/c1-6-10-11-12-13-14-15-16-17-18-28(32)36-31(23-21-30(5)22-24-31)37(33,34)26-20-27-19-25-35-29(27)38(7-2,8-3)9-4/h19,25H,6-18,20-24,26H2,1-5H3/q+1