2-[5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanol

Systemtic Name: 2-[5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanol Openeye Name: 2-[5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanol CAS Name: 2-[5-methyl-2-[(E)-2-(methylthio)but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanol IUPAC Name: 2-[5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanol Traditional Name: 2-[5-methyl-2-[(E)-2-(methylthio)but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanol Formula: C15H20NOS2+ MolecularWeight: 294.4554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)C)CCO)SC

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)C)CCO)/SC

InChI

InChI=1S/C15H20NOS2/c1-4-12(18-3)10-15-16(7-8-17)13-9-11(2)5-6-14(13)19-15/h5-6,9-10,17H,4,7-8H2,1-3H3/q+1/b12-10+