[3-[(3-chloranyl-2-methyl-phenyl)carbamoyl]-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-diethyl-azanium

Systemtic Name: [3-[(3-chloranyl-2-methyl-phenyl)carbamoyl]-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-diethyl-azanium Openeye Name: [3-[(3-chloro-2-methyl-phenyl)carbamoyl]-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-diethyl-ammonium CAS Name: [3-[(3-chloro-2-methylanilino)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-diethylammonium IUPAC Name: [3-[(3-chloro-2-methylphenyl)carbamoyl]-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl-diethylazanium Traditional Name: [3-[(3-chloro-2-methyl-phenyl)carbamoyl]-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-diethyl-ammonium Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1C(=C(O2)C)C(=O)NC3=C(C(=CC=C3)Cl)C)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1C(=C(O2)C)C(=O)NC3=C(C(=CC=C3)Cl)C)O

InChI

InChI=1S/C22H25ClN2O3/c1-5-25(6-2)12-15-18(26)10-11-19-21(15)20(14(4)28-19)22(27)24-17-9-7-8-16(23)13(17)3/h7-11,26H,5-6,12H2,1-4H3,(H,24,27)/p+1