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

Systemtic Name: 1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: 1-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: 1-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: 1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: 1-[(2R)-2-methylcoumaran-5-yl]-3-piperidin-1-ium-1-yl-propan-1-one Formula: C17H24NO2+ MolecularWeight: 274.37796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CC2=C(O1)C=CC(=C2)C(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C17H23NO2/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/p+1/t13-/m1/s1