[3-oxidanidyl-3-[5-[(E)-pent-3-enyl]-1,3,4-thiadiazol-2-yl]-1-pentyl-imidazolidin-3-ium-4-yl] 3-ethylpyridine-2-carboxylate

Systemtic Name: [3-oxidanidyl-3-[5-[(E)-pent-3-enyl]-1,3,4-thiadiazol-2-yl]-1-pentyl-imidazolidin-3-ium-4-yl] 3-ethylpyridine-2-carboxylate Openeye Name: [3-oxido-3-[5-[(E)-pent-3-enyl]-1,3,4-thiadiazol-2-yl]-1-pentyl-imidazolidin-3-ium-4-yl] 3-ethylpyridine-2-carboxylate CAS Name: 3-ethyl-2-pyridinecarboxylic acid [3-oxido-3-[5-[(E)-pent-3-enyl]-1,3,4-thiadiazol-2-yl]-1-pentyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-3-[5-[(E)-pent-3-enyl]-1,3,4-thiadiazol-2-yl]-1-pentylimidazolidin-3-ium-4-yl] 3-ethylpyridine-2-carboxylate Traditional Name: 3-ethylpicolinic acid [1-amyl-3-oxido-3-[5-[(E)-pent-3-enyl]-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CC([N+](C1)(C2=NN=C(S2)CCC=CC)[O-])OC(=O)C3=C(C=CC=N3)CC

Isomeric SMILES

CCCCCN1CC([N+](C1)(C2=NN=C(S2)CC/C=C/C)[O-])OC(=O)C3=C(C=CC=N3)CC

InChI

InChI=1S/C23H33N5O3S/c1-4-7-9-13-19-25-26-23(32-19)28(30)17-27(15-10-8-5-2)16-20(28)31-22(29)21-18(6-3)12-11-14-24-21/h4,7,11-12,14,20H,5-6,8-10,13,15-17H2,1-3H3/b7-4+