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

Systemtic Name: [3-oxidanidyl-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] pyridine-2-carboxylate Openeye Name: [3-oxido-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [3-oxido-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [3-oxido-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=CC=N3)CCC)[O-]

Isomeric SMILES

CCCC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=CC=N3)CCC)[O-]

InChI

InChI=1S/C17H23N5O3S/c1-3-7-14-19-20-17(26-14)22(24)12-21(10-4-2)11-15(22)25-16(23)13-8-5-6-9-18-13/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3