[3-(5-iodanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-nitrobenzoate

Systemtic Name: [3-(5-iodanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-nitrobenzoate Openeye Name: [3-(5-iodothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(5-iodo-2-thiazolyl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-iodo-1,3-thiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(5-iodothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H13IN4O5S MolecularWeight: 476.24629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13IN4O5S/c1-17-7-12(19(23,8-17)14-16-6-11(15)25-14)24-13(20)9-3-2-4-10(5-9)18(21)22/h2-6,12H,7-8H2,1H3