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

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(2R)-3-methylbutan-2-yl]azanium Openeye Name: [(1R)-1,2-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-[(2R)-3-methylbutan-2-yl]ammonium IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(2R)-3-methylbutan-2-yl]azanium Traditional Name: [(1R)-1,2-dimethylpropyl]-[[(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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-6-19-16-8-14-7-12(4)20-17(14)9-15(16)10-18-13(5)11(2)3/h8-9,11-13,18H,6-7,10H2,1-5H3/p+1/t12-,13+/m0/s1