1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)cyclododecan-1-ol iodide

Systemtic Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)cyclododecan-1-ol iodide Openeye Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)cyclododecanol iodide CAS Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-cyclododecanol iodide IUPAC Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)cyclododecan-1-ol iodide Traditional Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)cyclododecanol iodide Formula: C20H30INOS MolecularWeight: 459.42777

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C3(CCCCCCCCCCC3)O.[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C3(CCCCCCCCCCC3)O.[I-]

InChI

InChI=1S/C20H30NOS.HI/c1-21-17-13-9-10-14-18(17)23-19(21)20(22)15-11-7-5-3-2-4-6-8-12-16-20;/h9-10,13-14,22H,2-8,11-12,15-16H2,1H3;1H/q+1;/p-1