3-(4-butyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-ol

Systemtic Name: 3-(4-butyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-ol Openeye Name: 3-(4-butyl-1,3-benzothiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-ol CAS Name: 3-(4-butyl-1,3-benzothiazol-2-yl)-3-oxido-1-propyl-4-imidazolidin-3-iumol IUPAC Name: 3-(4-butyl-1,3-benzothiazol-2-yl)-3-oxido-1-propylimidazolidin-3-ium-4-ol Traditional Name: 3-(4-butyl-1,3-benzothiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-ol Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC=C1)SC(=N2)[N+]3(CN(CC3O)CCC)[O-]

Isomeric SMILES

CCCCC1=C2C(=CC=C1)SC(=N2)[N+]3(CN(CC3O)CCC)[O-]

InChI

InChI=1S/C17H25N3O2S/c1-3-5-7-13-8-6-9-14-16(13)18-17(23-14)20(22)12-19(10-4-2)11-15(20)21/h6,8-9,15,21H,3-5,7,10-12H2,1-2H3