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

Systemtic Name: N-(3-hexylsulfanylphenyl)-1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine Openeye Name: N-(3-hexylsulfanylphenyl)-1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine CAS Name: N-[3-(hexylthio)phenyl]-1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumamine IUPAC Name: N-(3-hexylsulfanylphenyl)-1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine Traditional Name: [3-(hexylthio)phenyl]-[1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl]amine Formula: C19H26F3N5OS2 MolecularWeight: 461.56785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=CC(=C1)NC2CN(C[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

Isomeric SMILES

CCCCCCSC1=CC=CC(=C1)NC2CN(C[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

InChI

InChI=1S/C19H26F3N5OS2/c1-3-4-5-6-10-29-15-9-7-8-14(11-15)23-16-12-26(2)13-27(16,28)18-25-24-17(30-18)19(20,21)22/h7-9,11,16,23H,3-6,10,12-13H2,1-2H3