1-methyl-N-octadecyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine

Systemtic Name: 1-methyl-N-octadecyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine Openeye Name: 1-methyl-N-octadecyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine CAS Name: 1-methyl-N-octadecyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumamine IUPAC Name: 1-methyl-N-octadecyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine Traditional Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl]-stearyl-amine Formula: C25H46F3N5OS MolecularWeight: 521.72585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1CN(C[N+]1(C2=NN=C(S2)C(F)(F)F)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1CN(C[N+]1(C2=NN=C(S2)C(F)(F)F)[O-])C

InChI

InChI=1S/C25H46F3N5OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-22-20-32(2)21-33(22,34)24-31-30-23(35-24)25(26,27)28/h22,29H,3-21H2,1-2H3