[3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(3-nitrophenoxy)ethanoate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(3-nitrophenoxy)ethanoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2-(3-nitrophenoxy)acetate CAS Name: 2-(3-nitrophenoxy)acetic acid [3-(5-bromo-2-thiazolyl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 2-(3-nitrophenoxy)acetate Traditional Name: 2-(3-nitrophenoxy)acetic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H15BrN4O6S MolecularWeight: 459.2718

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15BrN4O6S/c1-18-7-13(20(24,9-18)15-17-6-12(16)27-15)26-14(21)8-25-11-4-2-3-10(5-11)19(22)23/h2-6,13H,7-9H2,1H3