2-bromanylhexane; [1-[(E)-hex-4-enyl]-3-oxidanidyl-3-(1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-bromanylpyridine-2-carboxylate

Systemtic Name: 2-bromanylhexane; [1-[(E)-hex-4-enyl]-3-oxidanidyl-3-(1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-bromanylpyridine-2-carboxylate Openeye Name: 2-bromohexane; [1-[(E)-hex-4-enyl]-3-oxido-3-(1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-bromopyridine-2-carboxylate CAS Name: 2-bromohexane; 4-bromo-2-pyridinecarboxylic acid [1-[(E)-hex-4-enyl]-3-oxido-3-(1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: 2-bromohexane; [1-[(E)-hex-4-enyl]-3-oxido-3-(1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-bromopyridine-2-carboxylate Traditional Name: 2-bromohexane; 4-bromopicolinic acid [1-[(E)-hex-4-enyl]-3-oxido-3-(1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C23H33Br2N5O3S MolecularWeight: 619.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)Br.CC=CCCCN1CC([N+](C1)(C2=NN=CS2)[O-])OC(=O)C3=NC=CC(=C3)Br

Isomeric SMILES

CCCCC(C)Br.C/C=C/CCCN1CC([N+](C1)(C2=NN=CS2)[O-])OC(=O)C3=NC=CC(=C3)Br

InChI

InChI=1S/C17H20BrN5O3S.C6H13Br/c1-2-3-4-5-8-22-10-15(23(25,12-22)17-21-20-11-27-17)26-16(24)14-9-13(18)6-7-19-14;1-3-4-5-6(2)7/h2-3,6-7,9,11,15H,4-5,8,10,12H2,1H3;6H,3-5H2,1-2H3/b3-2+;