3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-N-(oxolan-2-ylmethyl)imidazolidin-3-ium-4-amine

Systemtic Name: 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-N-(oxolan-2-ylmethyl)imidazolidin-3-ium-4-amine Openeye Name: 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-N-(tetrahydrofuran-2-ylmethyl)imidazolidin-3-ium-4-amine CAS Name: 3-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-N-(2-oxolanylmethyl)-4-imidazolidin-3-iumamine IUPAC Name: 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-N-(oxolan-2-ylmethyl)imidazolidin-3-ium-4-amine Traditional Name: [3-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-(tetrahydrofurfuryl)amine Formula: C17H31N5O2S2 MolecularWeight: 401.59034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(S1)[N+]2(CN(CC2NCC3CCCO3)C)[O-]

Isomeric SMILES

CCCCCCSC1=NN=C(S1)[N+]2(CN(CC2NCC3CCCO3)C)[O-]

InChI

InChI=1S/C17H31N5O2S2/c1-3-4-5-6-10-25-17-20-19-16(26-17)22(23)13-21(2)12-15(22)18-11-14-8-7-9-24-14/h14-15,18H,3-13H2,1-2H3