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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C[NH2+]CC(C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)C[NH2+]CC(C)C

InChI

InChI=1S/C16H25NO2/c1-5-18-15-7-13-6-12(4)19-16(13)8-14(15)10-17-9-11(2)3/h7-8,11-12,17H,5-6,9-10H2,1-4H3/p+1/t12-/m0/s1