1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]ethanone Formula: C16H18NO4S+ MolecularWeight: 320.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC3=C(C=C2)OCCO3)CCO

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC3=C(C=C2)OCCO3)CCO

InChI

InChI=1S/C16H18NO4S/c1-11-16(4-5-18)22-10-17(11)9-13(19)12-2-3-14-15(8-12)21-7-6-20-14/h2-3,8,10,18H,4-7,9H2,1H3/q+1