[3-(6-hexyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-pentyl-imidazolidin-3-ium-4-yl] 5-hexylfuran-3-carboxylate

Systemtic Name: [3-(6-hexyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-pentyl-imidazolidin-3-ium-4-yl] 5-hexylfuran-3-carboxylate Openeye Name: [3-(6-hexyl-1,3-benzothiazol-2-yl)-3-oxido-1-pentyl-imidazolidin-3-ium-4-yl] 5-hexylfuran-3-carboxylate CAS Name: 5-hexyl-3-furancarboxylic acid [3-(6-hexyl-1,3-benzothiazol-2-yl)-3-oxido-1-pentyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(6-hexyl-1,3-benzothiazol-2-yl)-3-oxido-1-pentylimidazolidin-3-ium-4-yl] 5-hexylfuran-3-carboxylate Traditional Name: 5-hexylfuran-3-carboxylic acid [1-amyl-3-(6-hexyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C32H47N3O4S MolecularWeight: 569.79828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)N=C(S2)[N+]3(CN(CC3OC(=O)C4=COC(=C4)CCCCCC)CCCCC)[O-]

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)N=C(S2)[N+]3(CN(CC3OC(=O)C4=COC(=C4)CCCCCC)CCCCC)[O-]

InChI

InChI=1S/C32H47N3O4S/c1-4-7-10-12-15-25-17-18-28-29(20-25)40-32(33-28)35(37)24-34(19-14-9-6-3)22-30(35)39-31(36)26-21-27(38-23-26)16-13-11-8-5-2/h17-18,20-21,23,30H,4-16,19,22,24H2,1-3H3