1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-morpholin-4-ium-4-yl-propan-1-one chloride

Systemtic Name: 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-morpholin-4-ium-4-yl-propan-1-one chloride Openeye Name: 1-(2-methyl-2,3-dihydrobenzofuran-5-yl)-3-morpholin-4-ium-4-yl-propan-1-one chloride CAS Name: 1-(2-methyl-2,3-dihydrobenzofuran-5-yl)-3-(4-morpholin-4-iumyl)-1-propanone chloride IUPAC Name: 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride Traditional Name: 1-(2-methylcoumaran-5-yl)-3-morpholin-4-ium-4-yl-propan-1-one chloride Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C(=O)CC[NH+]3CCOCC3.[Cl-]

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C(=O)CC[NH+]3CCOCC3.[Cl-]

InChI

InChI=1S/C16H21NO3.ClH/c1-12-10-14-11-13(2-3-16(14)20-12)15(18)4-5-17-6-8-19-9-7-17;/h2-3,11-12H,4-10H2,1H3;1H