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

Systemtic Name: [3-[(2,4-dimethylphenyl)carbamoyl]-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-[(2,4-dimethylphenyl)carbamoyl]-5-hydroxy-2-methyl-benzofuran-4-yl]methyl]-methyl-ammonium CAS Name: [3-[(2,4-dimethylanilino)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-[(2,4-dimethylphenyl)carbamoyl]-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-[(2,4-dimethylphenyl)carbamoyl]-5-hydroxy-2-methyl-benzofuran-4-yl]methyl]-methyl-ammonium Formula: C27H29N2O3+ MolecularWeight: 429.53076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+](C)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+](C)CC4=CC=CC=C4)C)C

InChI

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