methyl-[[2-methyl-5-oxidanyl-3-(phenylcarbamoyl)-1-benzofuran-4-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[2-methyl-5-oxidanyl-3-(phenylcarbamoyl)-1-benzofuran-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[5-hydroxy-2-methyl-3-(phenylcarbamoyl)benzofuran-4-yl]methyl]-methyl-ammonium CAS Name: [3-[anilino(oxo)methyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-hydroxy-2-methyl-3-(phenylcarbamoyl)-1-benzofuran-4-yl]methyl]-methylazanium Traditional Name: benzyl-[[5-hydroxy-2-methyl-3-(phenylcarbamoyl)benzofuran-4-yl]methyl]-methyl-ammonium Formula: C25H25N2O3+ MolecularWeight: 401.4776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+](C)CC3=CC=CC=C3)O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+](C)CC3=CC=CC=C3)O)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3/c1-17-23(25(29)26-19-11-7-4-8-12-19)24-20(21(28)13-14-22(24)30-17)16-27(2)15-18-9-5-3-6-10-18/h3-14,28H,15-16H2,1-2H3,(H,26,29)/p+1