chloranylcyclopropane; 3-oxidanidyl-3-(6-propoxy-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-ol

Systemtic Name: chloranylcyclopropane; 3-oxidanidyl-3-(6-propoxy-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-ol Openeye Name: chlorocyclopropane; 3-oxido-3-(6-propoxy-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-ol CAS Name: chlorocyclopropane; 3-oxido-3-(6-propoxy-1,3-benzothiazol-2-yl)-4-imidazolidin-3-iumol IUPAC Name: chlorocyclopropane; 3-oxido-3-(6-propoxy-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-ol Traditional Name: chlorocyclopropane; 3-oxido-3-(6-propoxy-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-ol Formula: C16H22ClN3O3S MolecularWeight: 371.88218

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)N=C(S2)[N+]3(CNCC3O)[O-].C1CC1Cl

Isomeric SMILES

CCCOC1=CC2=C(C=C1)N=C(S2)[N+]3(CNCC3O)[O-].C1CC1Cl

InChI

InChI=1S/C13H17N3O3S.C3H5Cl/c1-2-5-19-9-3-4-10-11(6-9)20-13(15-10)16(18)8-14-7-12(16)17;4-3-1-2-3/h3-4,6,12,14,17H,2,5,7-8H2,1H3;3H,1-2H2