1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanone

Systemtic Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanone Openeye Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]ethanone CAS Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]ethanone IUPAC Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanone Traditional Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]ethanone Formula: C17H20NO4S+ MolecularWeight: 334.41

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC3=C(CCCOO3)C=C2)CCO

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC3=C(CCCOO3)C=C2)CCO

InChI

InChI=1S/C17H20NO4S/c1-12-17(6-7-19)23-11-18(12)10-15(20)14-5-4-13-3-2-8-21-22-16(13)9-14/h4-5,9,11,19H,2-3,6-8,10H2,1H3/q+1