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

Systemtic Name: [(2R)-butan-2-yl]-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]azanium Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(1R)-1-methylpropyl]ammonium CAS Name: [(2R)-butan-2-yl]-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]ammonium IUPAC Name: [(2R)-butan-2-yl]-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]azanium Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-[(1R)-1-methylpropyl]ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-5-11(3)17-10-14-9-16-13(7-12(4)19-16)8-15(14)18-6-2/h8-9,11-12,17H,5-7,10H2,1-4H3/p+1/t11-,12+/m1/s1