1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol

Systemtic Name: 1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol Openeye Name: 1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-ol CAS Name: 1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumol IUPAC Name: 1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-ol Traditional Name: 1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-ol Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3O)C)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3O)C)[O-]

InChI

InChI=1S/C12H15N3O2S/c1-8-3-4-10-9(5-8)13-12(18-10)15(17)7-14(2)6-11(15)16/h3-5,11,16H,6-7H2,1-2H3