2-cyanoethyl-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-methyl-azanium

Systemtic Name: 2-cyanoethyl-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-methyl-azanium Openeye Name: 2-cyanoethyl-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]-methyl-ammonium CAS Name: 2-cyanoethyl-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]-methylammonium IUPAC Name: 2-cyanoethyl-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-methylazanium Traditional Name: [(2R)-coumaran-2-yl]methyl-(2-cyanoethyl)-methyl-ammonium Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CC1CC2=CC=CC=C2O1

Isomeric SMILES

C[NH+](CCC#N)C[C@H]1CC2=CC=CC=C2O1

InChI

InChI=1S/C13H16N2O/c1-15(8-4-7-14)10-12-9-11-5-2-3-6-13(11)16-12/h2-3,5-6,12H,4,8-10H2,1H3/p+1/t12-/m1/s1