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

Systemtic Name: 3-methyl-2-(2-methyloxolan-2-yl)-1,3-benzothiazol-3-ium iodide Openeye Name: 3-methyl-2-(2-methyltetrahydrofuran-2-yl)-1,3-benzothiazol-3-ium iodide CAS Name: 3-methyl-2-(2-methyl-2-oxolanyl)-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-methyl-2-(2-methyloxolan-2-yl)-1,3-benzothiazol-3-ium iodide Traditional Name: 3-methyl-2-(2-methyltetrahydrofuran-2-yl)-1,3-benzothiazol-3-ium iodide Formula: C13H16INOS MolecularWeight: 361.24171

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCO1)C2=[N+](C3=CC=CC=C3S2)C.[I-]

Isomeric SMILES

CC1(CCCO1)C2=[N+](C3=CC=CC=C3S2)C.[I-]

InChI

InChI=1S/C13H16NOS.HI/c1-13(8-5-9-15-13)12-14(2)10-6-3-4-7-11(10)16-12;/h3-4,6-7H,5,8-9H2,1-2H3;1H/q+1;/p-1