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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-5-19-16-9-14-8-13(4)20-17(14)10-15(16)11-18-7-6-12(2)3/h9-10,12-13,18H,5-8,11H2,1-4H3/p+1/t13-/m0/s1