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

Systemtic Name: [3-[(2,4-dimethylphenyl)carbamoyl]-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-[(2,4-dimethylphenyl)carbamoyl]-5-hydroxy-2-methyl-benzofuran-4-yl]methyl]-ethyl-ammonium CAS Name: [3-[(2,4-dimethylanilino)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-[(2,4-dimethylphenyl)carbamoyl]-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl]-ethylazanium Traditional Name: benzyl-[[3-[(2,4-dimethylphenyl)carbamoyl]-5-hydroxy-2-methyl-benzofuran-4-yl]methyl]-ethyl-ammonium Formula: C28H31N2O3+ MolecularWeight: 443.55734

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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=C(C=C(C=C4)C)C)O

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4=C(C=C(C=C4)C)C)O

InChI

InChI=1S/C28H30N2O3/c1-5-30(16-21-9-7-6-8-10-21)17-22-24(31)13-14-25-27(22)26(20(4)33-25)28(32)29-23-12-11-18(2)15-19(23)3/h6-15,31H,5,16-17H2,1-4H3,(H,29,32)/p+1