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

Systemtic Name: [(1S)-2-azaniumyl-1-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-[(2R)-5-ethoxy-2-methyl-coumaran-6-yl]ethyl]-diethyl-ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C[NH3+])C1=C(C=C2CC(OC2=C1)C)OCC

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH3+])C1=C(C=C2C[C@H](OC2=C1)C)OCC

InChI

InChI=1S/C17H28N2O2/c1-5-19(6-2)15(11-18)14-10-16-13(8-12(4)21-16)9-17(14)20-7-3/h9-10,12,15H,5-8,11,18H2,1-4H3/p+2/t12-,15-/m1/s1