[3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-(3-ethylpent-1-yn-3-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] cycloheptanecarboxylate

Systemtic Name: [3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-(3-ethylpent-1-yn-3-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] cycloheptanecarboxylate Openeye Name: [1-(1,1-diethylprop-2-ynyl)-3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] cycloheptanecarboxylate CAS Name: cycloheptanecarboxylic acid [3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-(3-ethylpent-1-yn-3-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-(3-ethylpent-1-yn-3-yl)-3-oxidoimidazolidin-3-ium-4-yl] cycloheptanecarboxylate Traditional Name: cycloheptanecarboxylic acid [1-(1,1-diethylprop-2-ynyl)-3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C22H34N4O4S MolecularWeight: 450.59476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)N1CC([N+](C1)(C2=NN=C(S2)OCC)[O-])OC(=O)C3CCCCCC3

Isomeric SMILES

CCC(CC)(C#C)N1CC([N+](C1)(C2=NN=C(S2)OCC)[O-])OC(=O)C3CCCCCC3

InChI

InChI=1S/C22H34N4O4S/c1-5-22(6-2,7-3)25-15-18(30-19(27)17-13-11-9-10-12-14-17)26(28,16-25)20-23-24-21(31-20)29-8-4/h1,17-18H,6-16H2,2-4H3