[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-yl] benzoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-yl] benzoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-yl] benzoate CAS Name: benzoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-propyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-propylimidazolidin-3-ium-4-yl] benzoate Traditional Name: benzoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-yl] ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC([N+](C1)(C2=NN=C(S2)C(C)(C)C)[O-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN1CC([N+](C1)(C2=NN=C(S2)C(C)(C)C)[O-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H26N4O3S/c1-5-11-22-12-15(26-16(24)14-9-7-6-8-10-14)23(25,13-22)18-21-20-17(27-18)19(2,3)4/h6-10,15H,5,11-13H2,1-4H3