5-hexoxy-2-(1-oxidanidylimidazolidin-1-ium-1-yl)-1,3-benzothiazole

Systemtic Name: 5-hexoxy-2-(1-oxidanidylimidazolidin-1-ium-1-yl)-1,3-benzothiazole Openeye Name: 5-hexoxy-2-(1-oxidoimidazolidin-1-ium-1-yl)-1,3-benzothiazole CAS Name: 5-hexoxy-2-(1-oxido-1-imidazolidin-1-iumyl)-1,3-benzothiazole IUPAC Name: 5-hexoxy-2-(1-oxidoimidazolidin-1-ium-1-yl)-1,3-benzothiazole Traditional Name: 5-hexoxy-2-(1-oxidoimidazolidin-1-ium-1-yl)-1,3-benzothiazole Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CCNC3)[O-]

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CCNC3)[O-]

InChI

InChI=1S/C16H23N3O2S/c1-2-3-4-5-10-21-13-6-7-15-14(11-13)18-16(22-15)19(20)9-8-17-12-19/h6-7,11,17H,2-5,8-10,12H2,1H3