[1-ethyl-3-oxidanidyl-3-(5-propylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 3-propylpyridine-2-carboxylate

Systemtic Name: [1-ethyl-3-oxidanidyl-3-(5-propylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 3-propylpyridine-2-carboxylate Openeye Name: [1-ethyl-3-oxido-3-(5-propylsulfonylthiazol-2-yl)imidazolidin-3-ium-4-yl] 3-propylpyridine-2-carboxylate CAS Name: 3-propyl-2-pyridinecarboxylic acid [1-ethyl-3-oxido-3-(5-propylsulfonyl-2-thiazolyl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-ethyl-3-oxido-3-(5-propylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 3-propylpyridine-2-carboxylate Traditional Name: 3-propylpicolinic acid [1-ethyl-3-oxido-3-(5-propylsulfonylthiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C20H28N4O5S2 MolecularWeight: 468.59012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=CC=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CCC)[O-])CC

Isomeric SMILES

CCCC1=C(N=CC=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CCC)[O-])CC

InChI

InChI=1S/C20H28N4O5S2/c1-4-8-15-9-7-10-21-18(15)19(25)29-16-13-23(6-3)14-24(16,26)20-22-12-17(30-20)31(27,28)11-5-2/h7,9-10,12,16H,4-6,8,11,13-14H2,1-3H3