(2R)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidin-1-ium

Systemtic Name: (2R)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidin-1-ium Openeye Name: (2R)-2-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]piperidin-1-ium CAS Name: (2R)-2-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]piperidin-1-ium IUPAC Name: (2R)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidin-1-ium Traditional Name: (2R)-2-[2-(2,2-dimethylcoumaran-7-yl)oxyethyl]piperidin-1-ium Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCCC3CCCC[NH2+]3)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC[C@H]3CCCC[NH2+]3)C

InChI

InChI=1S/C17H25NO2/c1-17(2)12-13-6-5-8-15(16(13)20-17)19-11-9-14-7-3-4-10-18-14/h5-6,8,14,18H,3-4,7,9-12H2,1-2H3/p+1/t14-/m1/s1