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

Systemtic Name: methyl-[[2-methyl-3-[(2-methylphenyl)carbamoyl]-5-oxidanyl-1-benzofuran-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[5-hydroxy-2-methyl-3-(o-tolylcarbamoyl)benzofuran-4-yl]methyl]-methyl-ammonium CAS Name: [5-hydroxy-2-methyl-3-[(2-methylanilino)-oxomethyl]-4-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-hydroxy-2-methyl-3-[(2-methylphenyl)carbamoyl]-1-benzofuran-4-yl]methyl]-methylazanium Traditional Name: benzyl-[[5-hydroxy-2-methyl-3-(o-tolylcarbamoyl)benzofuran-4-yl]methyl]-methyl-ammonium Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+](C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+](C)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H26N2O3/c1-17-9-7-8-12-21(17)27-26(30)24-18(2)31-23-14-13-22(29)20(25(23)24)16-28(3)15-19-10-5-4-6-11-19/h4-14,29H,15-16H2,1-3H3,(H,27,30)/p+1