3-[(1S)-5-cyano-1-phenyl-3H-2-benzofuran-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(1S)-5-cyano-1-phenyl-3H-2-benzofuran-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(1S)-5-cyano-1-phenyl-3H-isobenzofuran-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(1S)-5-cyano-1-phenyl-3H-isobenzofuran-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(1S)-5-cyano-1-phenyl-3H-2-benzofuran-1-yl]propyl-dimethylazanium Traditional Name: 3-[(1S)-5-cyano-1-phenyl-phthalan-1-yl]propyl-dimethyl-ammonium Formula: C20H23N2O+ MolecularWeight: 307.40942

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O/c1-22(2)12-6-11-20(18-7-4-3-5-8-18)19-10-9-16(14-21)13-17(19)15-23-20/h3-5,7-10,13H,6,11-12,15H2,1-2H3/p+1/t20-/m0/s1