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

Systemtic Name: 2-[2-[(E)-2-ethoxybut-1-enyl]-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol Openeye Name: 2-[2-[(E)-2-ethoxybut-1-enyl]-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol CAS Name: 2-[2-[(E)-2-ethoxybut-1-enyl]-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol IUPAC Name: 2-[2-[(E)-2-ethoxybut-1-enyl]-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol Traditional Name: 2-[2-[(E)-2-ethoxybut-1-enyl]-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol Formula: C16H22NO2S+ MolecularWeight: 292.41638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22NO2S/c1-4-13(19-5-2)11-16-17(8-9-18)14-10-12(3)6-7-15(14)20-16/h6-7,10-11,18H,4-5,8-9H2,1-3H3/q+1/b13-11+