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

Systemtic Name: 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 1-(2-methyl-2,3-dihydrobenzofuran-5-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride CAS Name: 1-(2-methyl-2,3-dihydrobenzofuran-5-yl)-3-(1-piperidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-piperidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 1-(2-methylcoumaran-5-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Formula: C17H24ClNO2 MolecularWeight: 309.83096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C(=O)CC[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C(=O)CC[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C17H23NO2.ClH/c1-13-11-15-12-14(5-6-17(15)20-13)16(19)7-10-18-8-3-2-4-9-18;/h5-6,12-13H,2-4,7-11H2,1H3;1H