2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol

Systemtic Name: 2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol Openeye Name: 2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol CAS Name: 2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol IUPAC Name: 2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol Traditional Name: 2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol Formula: C12H16NOS+ MolecularWeight: 222.32654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=[N+]2CCO)C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=[N+]2CCO)C

InChI

InChI=1S/C12H16NOS/c1-8-6-11-12(7-9(8)2)15-10(3)13(11)4-5-14/h6-7,14H,4-5H2,1-3H3/q+1