[3-[(2,6-diethylphenyl)carbamoyl]-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-diethyl-azanium

Systemtic Name: [3-[(2,6-diethylphenyl)carbamoyl]-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-diethyl-azanium Openeye Name: [3-[(2,6-diethylphenyl)carbamoyl]-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-diethyl-ammonium CAS Name: [3-[(2,6-diethylanilino)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-diethylammonium IUPAC Name: [3-[(2,6-diethylphenyl)carbamoyl]-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl-diethylazanium Traditional Name: [3-[(2,6-diethylphenyl)carbamoyl]-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-diethyl-ammonium Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+](CC)CC)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+](CC)CC)C

InChI

InChI=1S/C25H32N2O3/c1-6-17-11-10-12-18(7-2)24(17)26-25(29)22-16(5)30-21-14-13-20(28)19(23(21)22)15-27(8-3)9-4/h10-14,28H,6-9,15H2,1-5H3,(H,26,29)/p+1