[2-(2-bromoethyl)-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-butyloxolane-2-carboxylate

Systemtic Name: [2-(2-bromoethyl)-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-butyloxolane-2-carboxylate Openeye Name: [2-(2-bromoethyl)-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 4-butyltetrahydrofuran-2-carboxylate CAS Name: 4-butyl-2-oxolanecarboxylic acid [2-(2-bromoethyl)-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [2-(2-bromoethyl)-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 4-butyloxolane-2-carboxylate Traditional Name: 4-butyltetrahydrofuran-2-carboxylic acid [2-(2-bromoethyl)-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C23H37BrN4O4S MolecularWeight: 545.53328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(OC1)C(=O)OC2CNC([N+]2(C3=NN=C(S3)C4CCCCCC4)[O-])CCBr

Isomeric SMILES

CCCCC1CC(OC1)C(=O)OC2CNC([N+]2(C3=NN=C(S3)C4CCCCCC4)[O-])CCBr

InChI

InChI=1S/C23H37BrN4O4S/c1-2-3-8-16-13-18(31-15-16)22(29)32-20-14-25-19(11-12-24)28(20,30)23-27-26-21(33-23)17-9-6-4-5-7-10-17/h16-20,25H,2-15H2,1H3