[3-(5-chloranyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-yl] butanoate

Systemtic Name: [3-(5-chloranyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-yl] butanoate Openeye Name: [3-(5-chlorothiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-yl] butanoate CAS Name: butanoic acid [3-(5-chloro-2-thiazolyl)-3-oxido-1-propyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-propylimidazolidin-3-ium-4-yl] butanoate Traditional Name: butyric acid [3-(5-chlorothiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-yl] ester Formula: C13H20ClN3O3S MolecularWeight: 333.8342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CN(C[N+]1(C2=NC=C(S2)Cl)[O-])CCC

Isomeric SMILES

CCCC(=O)OC1CN(C[N+]1(C2=NC=C(S2)Cl)[O-])CCC

InChI

InChI=1S/C13H20ClN3O3S/c1-3-5-12(18)20-11-8-16(6-4-2)9-17(11,19)13-15-7-10(14)21-13/h7,11H,3-6,8-9H2,1-2H3