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

Systemtic Name: [3-oxidanidyl-1-propyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] 4-propylfuran-3-carboxylate Openeye Name: [3-oxido-1-propyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] 4-propylfuran-3-carboxylate CAS Name: 4-propyl-3-furancarboxylic acid [3-oxido-1-propyl-3-(5-propyl-1,3-benzothiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-1-propyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] 4-propylfuran-3-carboxylate Traditional Name: 4-propylfuran-3-carboxylic acid [3-oxido-1-propyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=COC=C4CCC)CCC)[O-]

Isomeric SMILES

CCCC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=COC=C4CCC)CCC)[O-]

InChI

InChI=1S/C24H31N3O4S/c1-4-7-17-9-10-21-20(12-17)25-24(32-21)27(29)16-26(11-6-3)13-22(27)31-23(28)19-15-30-14-18(19)8-5-2/h9-10,12,14-15,22H,4-8,11,13,16H2,1-3H3