2-bromanylhexane; 4-[1-methyl-3-oxidanidyl-3-(1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl]morpholine

Systemtic Name: 2-bromanylhexane; 4-[1-methyl-3-oxidanidyl-3-(1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl]morpholine Openeye Name: 2-bromohexane; 4-[1-methyl-3-oxido-3-(1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl]morpholine CAS Name: 2-bromohexane; 4-[1-methyl-3-oxido-3-(1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl]morpholine IUPAC Name: 2-bromohexane; 4-[1-methyl-3-oxido-3-(1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl]morpholine Traditional Name: 2-bromohexane; 4-[1-methyl-3-oxido-3-(1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl]morpholine Formula: C16H30BrN5O2S MolecularWeight: 436.4107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)Br.CN1CC([N+](C1)(C2=NN=CS2)[O-])N3CCOCC3

Isomeric SMILES

CCCCC(C)Br.CN1CC([N+](C1)(C2=NN=CS2)[O-])N3CCOCC3

InChI

InChI=1S/C10H17N5O2S.C6H13Br/c1-13-6-9(14-2-4-17-5-3-14)15(16,8-13)10-12-11-7-18-10;1-3-4-5-6(2)7/h7,9H,2-6,8H2,1H3;6H,3-5H2,1-2H3