[3-[5-[(E)-hex-4-enyl]-1,3,4-thiadiazol-2-yl]-1-hexyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-propylpyridine-3-carboxylate

Systemtic Name: [3-[5-[(E)-hex-4-enyl]-1,3,4-thiadiazol-2-yl]-1-hexyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-propylpyridine-3-carboxylate Openeye Name: [3-[5-[(E)-hex-4-enyl]-1,3,4-thiadiazol-2-yl]-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] 4-propylpyridine-3-carboxylate CAS Name: 4-propyl-3-pyridinecarboxylic acid [3-[5-[(E)-hex-4-enyl]-1,3,4-thiadiazol-2-yl]-1-hexyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-[5-[(E)-hex-4-enyl]-1,3,4-thiadiazol-2-yl]-1-hexyl-3-oxidoimidazolidin-3-ium-4-yl] 4-propylpyridine-3-carboxylate Traditional Name: 4-propylnicotinic acid [3-[5-[(E)-hex-4-enyl]-1,3,4-thiadiazol-2-yl]-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C26H39N5O3S MolecularWeight: 501.68456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC([N+](C1)(C2=NN=C(S2)CCCC=CC)[O-])OC(=O)C3=C(C=CN=C3)CCC

Isomeric SMILES

CCCCCCN1CC([N+](C1)(C2=NN=C(S2)CCC/C=C/C)[O-])OC(=O)C3=C(C=CN=C3)CCC

InChI

InChI=1S/C26H39N5O3S/c1-4-7-9-11-14-23-28-29-26(35-23)31(33)20-30(17-12-10-8-5-2)19-24(31)34-25(32)22-18-27-16-15-21(22)13-6-3/h4,7,15-16,18,24H,5-6,8-14,17,19-20H2,1-3H3/b7-4+