[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-(2-methylbutan-2-yl)azanium

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-(2-methylbutan-2-yl)azanium Openeye Name: 1,1-dimethylpropyl-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]ammonium CAS Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-(2-methylbutan-2-yl)ammonium IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-(2-methylbutan-2-yl)azanium Traditional Name: tert-amyl-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)[NH2+]CC1=C(C=C2CC(OC2=C1)C)OCC

Isomeric SMILES

CCC(C)(C)[NH2+]CC1=C(C=C2C[C@@H](OC2=C1)C)OCC

InChI

InChI=1S/C17H27NO2/c1-6-17(4,5)18-11-14-10-16-13(8-12(3)20-16)9-15(14)19-7-2/h9-10,12,18H,6-8,11H2,1-5H3/p+1/t12-/m0/s1