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

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-(3-methoxypropyl)azanium Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-(3-methoxypropyl)ammonium CAS Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-(3-methoxypropyl)ammonium IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-(3-methoxypropyl)azanium Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-(3-methoxypropyl)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+]CCCOC

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3/c1-4-19-15-9-13-8-12(2)20-16(13)10-14(15)11-17-6-5-7-18-3/h9-10,12,17H,4-8,11H2,1-3H3/p+1/t12-/m0/s1