[1-(chloromethyl)-3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pyridine-3-carboxylate

Systemtic Name: [1-(chloromethyl)-3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pyridine-3-carboxylate Openeye Name: [1-(chloromethyl)-3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-(chloromethyl)-3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-(chloromethyl)-3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [1-(chloromethyl)-3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H16ClN5O4S MolecularWeight: 385.82594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CN=CC=C3)CCl)[O-]

Isomeric SMILES

CCOC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CN=CC=C3)CCl)[O-]

InChI

InChI=1S/C14H16ClN5O4S/c1-2-23-14-18-17-13(25-14)20(22)9-19(8-15)7-11(20)24-12(21)10-4-3-5-16-6-10/h3-6,11H,2,7-9H2,1H3