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

Systemtic Name: [3-[(3-chloranyl-2-methyl-phenyl)carbamoyl]-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-[(3-chloro-2-methyl-phenyl)carbamoyl]-5-hydroxy-2-methyl-benzofuran-4-yl]methyl]-methyl-ammonium CAS Name: [3-[(3-chloro-2-methylanilino)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-[(3-chloro-2-methylphenyl)carbamoyl]-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-[(3-chloro-2-methyl-phenyl)carbamoyl]-5-hydroxy-2-methyl-benzofuran-4-yl]methyl]-methyl-ammonium Formula: C26H26ClN2O3+ MolecularWeight: 449.94924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+](C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+](C)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H25ClN2O3/c1-16-20(27)10-7-11-21(16)28-26(31)24-17(2)32-23-13-12-22(30)19(25(23)24)15-29(3)14-18-8-5-4-6-9-18/h4-13,30H,14-15H2,1-3H3,(H,28,31)/p+1