1-(1,3-benzothiazol-2-yl)-3-methyl-1-oxidanidyl-imidazolidin-1-ium-2-amine; hexan-2-ol

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-1-oxidanidyl-imidazolidin-1-ium-2-amine; hexan-2-ol Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-2-amine; hexan-2-ol CAS Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-1-oxido-2-imidazolidin-1-iumamine; 2-hexanol IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-1-oxidoimidazolidin-1-ium-2-amine; hexan-2-ol Traditional Name: [1-(1,3-benzothiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-2-yl]amine; hexan-2-ol Formula: C17H28N4O2S MolecularWeight: 352.49482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)O.CN1CC[N+](C1N)(C2=NC3=CC=CC=C3S2)[O-]

Isomeric SMILES

CCCCC(C)O.CN1CC[N+](C1N)(C2=NC3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C11H14N4OS.C6H14O/c1-14-6-7-15(16,10(14)12)11-13-8-4-2-3-5-9(8)17-11;1-3-4-5-6(2)7/h2-5,10H,6-7,12H2,1H3;6-7H,3-5H2,1-2H3