azetidine; 5-ethoxy-2-(3-methyl-1-oxidanidyl-imidazolidin-1-ium-1-yl)-1,3-benzothiazole

Systemtic Name: azetidine; 5-ethoxy-2-(3-methyl-1-oxidanidyl-imidazolidin-1-ium-1-yl)-1,3-benzothiazole Openeye Name: azetidine; 5-ethoxy-2-(3-methyl-1-oxido-imidazolidin-1-ium-1-yl)-1,3-benzothiazole CAS Name: azetidine; 5-ethoxy-2-(3-methyl-1-oxido-1-imidazolidin-1-iumyl)-1,3-benzothiazole IUPAC Name: azetidine; 5-ethoxy-2-(3-methyl-1-oxidoimidazolidin-1-ium-1-yl)-1,3-benzothiazole Traditional Name: azetidine; 5-ethoxy-2-(3-methyl-1-oxido-imidazolidin-1-ium-1-yl)-1,3-benzothiazole Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CCN(C3)C)[O-].C1CNC1

Isomeric SMILES

CCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CCN(C3)C)[O-].C1CNC1

InChI

InChI=1S/C13H17N3O2S.C3H7N/c1-3-18-10-4-5-12-11(8-10)14-13(19-12)16(17)7-6-15(2)9-16;1-2-4-3-1/h4-5,8H,3,6-7,9H2,1-2H3;4H,1-3H2