[(1S)-1-(1-benzofuran-2-yl)-2-(3,4-dimethylphenoxy)ethyl]azanium

Systemtic Name: [(1S)-1-(1-benzofuran-2-yl)-2-(3,4-dimethylphenoxy)ethyl]azanium Openeye Name: [(1S)-1-(benzofuran-2-yl)-2-(3,4-dimethylphenoxy)ethyl]ammonium CAS Name: [(1S)-1-(2-benzofuranyl)-2-(3,4-dimethylphenoxy)ethyl]ammonium IUPAC Name: [(1S)-1-(1-benzofuran-2-yl)-2-(3,4-dimethylphenoxy)ethyl]azanium Traditional Name: [(1S)-1-(benzofuran-2-yl)-2-(3,4-dimethylphenoxy)ethyl]ammonium Formula: C18H20NO2+ MolecularWeight: 282.3569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(C2=CC3=CC=CC=C3O2)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)OC[C@@H](C2=CC3=CC=CC=C3O2)[NH3+])C

InChI

InChI=1S/C18H19NO2/c1-12-7-8-15(9-13(12)2)20-11-16(19)18-10-14-5-3-4-6-17(14)21-18/h3-10,16H,11,19H2,1-2H3/p+1/t16-/m0/s1