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

Systemtic Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]azetidin-1-ium Openeye Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]azetidin-1-ium CAS Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]azetidin-1-ium IUPAC Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]azetidin-1-ium Traditional Name: 3-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]azetidin-1-ium Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CC3C[NH2+]C3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CC3C[NH2+]C3

InChI

InChI=1S/C15H21NO2/c1-3-17-14-6-12-4-10(2)18-15(12)7-13(14)5-11-8-16-9-11/h6-7,10-11,16H,3-5,8-9H2,1-2H3/p+1/t10-/m0/s1