4-[(dimethylazaniumyl)methyl]-2-(phenylmethyl)-1-benzofuran-5-olate

Systemtic Name: 4-[(dimethylazaniumyl)methyl]-2-(phenylmethyl)-1-benzofuran-5-olate Openeye Name: 2-benzyl-4-[(dimethylammonio)methyl]benzofuran-5-olate CAS Name: 4-[(dimethylammonio)methyl]-2-(phenylmethyl)-5-benzofuranolate IUPAC Name: 2-benzyl-4-[(dimethylazaniumyl)methyl]-1-benzofuran-5-olate Traditional Name: 2-benzyl-4-[(dimethylammonio)methyl]benzofuran-5-olate Formula: C18H19NO2 MolecularWeight: 281.34896

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1C=C(O2)CC3=CC=CC=C3)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1C=C(O2)CC3=CC=CC=C3)[O-]

InChI

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