2-methyl-3-(5-pyridin-1-ium-1-ylpentyl)-1,3-benzothiazol-3-ium diiodide

Systemtic Name: 2-methyl-3-(5-pyridin-1-ium-1-ylpentyl)-1,3-benzothiazol-3-ium diiodide Openeye Name: 2-methyl-3-(5-pyridin-1-ium-1-ylpentyl)-1,3-benzothiazol-3-ium diiodide CAS Name: 2-methyl-3-[5-(1-pyridin-1-iumyl)pentyl]-1,3-benzothiazol-3-ium diiodide IUPAC Name: 2-methyl-3-(5-pyridin-1-ium-1-ylpentyl)-1,3-benzothiazol-3-ium diiodide Traditional Name: 2-methyl-3-(5-pyridin-1-ium-1-ylpentyl)-1,3-benzothiazol-3-ium diiodide Formula: C18H22I2N2S MolecularWeight: 552.25462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCCCC[N+]3=CC=CC=C3.[I-].[I-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCCCC[N+]3=CC=CC=C3.[I-].[I-]

InChI

InChI=1S/C18H22N2S.2HI/c1-16-20(17-10-4-5-11-18(17)21-16)15-9-3-8-14-19-12-6-2-7-13-19;;/h2,4-7,10-13H,3,8-9,14-15H2,1H3;2*1H/q+2;;/p-2