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

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-(2-hydroxyethyl)-(3-pyridylmethyl)ammonium CAS Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-(2-hydroxyethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-(2-hydroxyethyl)-(3-pyridylmethyl)ammonium Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C[NH+](CCO)CC3=CN=CC=C3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)C[NH+](CCO)CC3=CN=CC=C3

InChI

InChI=1S/C20H26N2O3/c1-3-24-19-10-17-9-15(2)25-20(17)11-18(19)14-22(7-8-23)13-16-5-4-6-21-12-16/h4-6,10-12,15,23H,3,7-9,13-14H2,1-2H3/p+1/t15-/m0/s1