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

Systemtic Name: [3-[(2,4-dimethylphenyl)carbamoyl]-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-[[3-[(2,4-dimethylphenyl)carbamoyl]-5-hydroxy-2-methyl-benzofuran-4-yl]methyl]ammonium CAS Name: [3-[(2,4-dimethylanilino)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-bis(prop-2-enyl)ammonium IUPAC Name: [3-[(2,4-dimethylphenyl)carbamoyl]-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-[[3-[(2,4-dimethylphenyl)carbamoyl]-5-hydroxy-2-methyl-benzofuran-4-yl]methyl]ammonium Formula: C25H29N2O3+ MolecularWeight: 405.50936

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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+](CC=C)CC=C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-6-12-27(13-7-2)15-19-21(28)10-11-22-24(19)23(18(5)30-22)25(29)26-20-9-8-16(3)14-17(20)4/h6-11,14,28H,1-2,12-13,15H2,3-5H3,(H,26,29)/p+1