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

Systemtic Name: ethyl-[[2-methyl-3-[(2-methylphenyl)carbamoyl]-5-oxidanyl-1-benzofuran-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[[5-hydroxy-2-methyl-3-(o-tolylcarbamoyl)benzofuran-4-yl]methyl]ammonium CAS Name: ethyl-[[5-hydroxy-2-methyl-3-[(2-methylanilino)-oxomethyl]-4-benzofuranyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[[5-hydroxy-2-methyl-3-[(2-methylphenyl)carbamoyl]-1-benzofuran-4-yl]methyl]azanium Traditional Name: benzyl-ethyl-[[5-hydroxy-2-methyl-3-(o-tolylcarbamoyl)benzofuran-4-yl]methyl]ammonium Formula: C27H29N2O3+ MolecularWeight: 429.53076

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4=CC=CC=C4C)O

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4=CC=CC=C4C)O

InChI

InChI=1S/C27H28N2O3/c1-4-29(16-20-11-6-5-7-12-20)17-21-23(30)14-15-24-26(21)25(19(3)32-24)27(31)28-22-13-9-8-10-18(22)2/h5-15,30H,4,16-17H2,1-3H3,(H,28,31)/p+1