[3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-propylbenzoate

Systemtic Name: [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-propylbenzoate Openeye Name: [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-propylbenzoate CAS Name: 3-propylbenzoic acid [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 3-propylbenzoate Traditional Name: 3-propylbenzoic acid [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC(=CC=C3)CCC)C)[O-]

Isomeric SMILES

CCCCCCOC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC(=CC=C3)CCC)C)[O-]

InChI

InChI=1S/C22H32N4O4S/c1-4-6-7-8-13-29-22-24-23-21(31-22)26(28)16-25(3)15-19(26)30-20(27)18-12-9-11-17(14-18)10-5-2/h9,11-12,14,19H,4-8,10,13,15-16H2,1-3H3