[3-(5-bromanyl-1,3-thiazol-2-yl)-1-(chloromethyl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-methylpyridine-2-carboxylate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-(chloromethyl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-methylpyridine-2-carboxylate Openeye Name: [3-(5-bromothiazol-2-yl)-1-(chloromethyl)-3-oxido-imidazolidin-3-ium-4-yl] 3-methylpyridine-2-carboxylate CAS Name: 3-methyl-2-pyridinecarboxylic acid [3-(5-bromo-2-thiazolyl)-1-(chloromethyl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-(chloromethyl)-3-oxidoimidazolidin-3-ium-4-yl] 3-methylpyridine-2-carboxylate Traditional Name: 3-methylpicolinic acid [3-(5-bromothiazol-2-yl)-1-(chloromethyl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H14BrClN4O3S MolecularWeight: 433.70796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])CCl

Isomeric SMILES

CC1=C(N=CC=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])CCl

InChI

InChI=1S/C14H14BrClN4O3S/c1-9-3-2-4-17-12(9)13(21)23-11-6-19(7-16)8-20(11,22)14-18-5-10(15)24-14/h2-5,11H,6-8H2,1H3