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

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(2R)-1-methoxypropan-2-yl]azanium Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(1R)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(2R)-1-methoxypropan-2-yl]ammonium IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(2R)-1-methoxypropan-2-yl]azanium Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-[(1R)-2-methoxy-1-methyl-ethyl]ammonium Formula: C16H26NO3+ MolecularWeight: 280.38254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3/c1-5-19-15-7-13-6-12(3)20-16(13)8-14(15)9-17-11(2)10-18-4/h7-8,11-12,17H,5-6,9-10H2,1-4H3/p+1/t11-,12+/m1/s1