2,3-dihydro-1-benzofuran-5-ylmethyl-[[2-(dimethylamino)pyridin-3-yl]methyl]azanium

Systemtic Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[[2-(dimethylamino)pyridin-3-yl]methyl]azanium Openeye Name: 2,3-dihydrobenzofuran-5-ylmethyl-[[2-(dimethylamino)-3-pyridyl]methyl]ammonium CAS Name: 2,3-dihydrobenzofuran-5-ylmethyl-[[2-(dimethylamino)-3-pyridinyl]methyl]ammonium IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[[2-(dimethylamino)pyridin-3-yl]methyl]azanium Traditional Name: coumaran-5-ylmethyl-[[2-(dimethylamino)-3-pyridyl]methyl]ammonium Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)C[NH2+]CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

CN(C)C1=C(C=CC=N1)C[NH2+]CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C17H21N3O/c1-20(2)17-15(4-3-8-19-17)12-18-11-13-5-6-16-14(10-13)7-9-21-16/h3-6,8,10,18H,7,9,11-12H2,1-2H3/p+1