bis(2-hydroxyethyl)-[[3-(4-methylphenyl)carbonyl-5-oxidanyl-1-benzofuran-4-yl]methyl]azanium

Systemtic Name: bis(2-hydroxyethyl)-[[3-(4-methylphenyl)carbonyl-5-oxidanyl-1-benzofuran-4-yl]methyl]azanium Openeye Name: bis(2-hydroxyethyl)-[[5-hydroxy-3-(4-methylbenzoyl)benzofuran-4-yl]methyl]ammonium CAS Name: bis(2-hydroxyethyl)-[[5-hydroxy-3-[(4-methylphenyl)-oxomethyl]-4-benzofuranyl]methyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-[[5-hydroxy-3-(4-methylbenzoyl)-1-benzofuran-4-yl]methyl]azanium Traditional Name: bis(2-hydroxyethyl)-[(5-hydroxy-3-p-toluoyl-benzofuran-4-yl)methyl]ammonium Formula: C21H24NO5+ MolecularWeight: 370.41896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+](CCO)CCO

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+](CCO)CCO

InChI

InChI=1S/C21H23NO5/c1-14-2-4-15(5-3-14)21(26)17-13-27-19-7-6-18(25)16(20(17)19)12-22(8-10-23)9-11-24/h2-7,13,23-25H,8-12H2,1H3/p+1