(3-ethoxycarbonyl-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl)methyl-diethyl-azanium

Systemtic Name: (3-ethoxycarbonyl-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl)methyl-diethyl-azanium Openeye Name: (3-ethoxycarbonyl-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)methyl-diethyl-ammonium CAS Name: (3-ethoxycarbonyl-5-hydroxy-2-methyl-4-benzo[g]benzofuranyl)methyl-diethylammonium IUPAC Name: (3-ethoxycarbonyl-5-hydroxy-2-methylbenzo[g][1]benzofuran-4-yl)methyl-diethylazanium Traditional Name: (3-carbethoxy-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)methyl-diethyl-ammonium Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C2=CC=CC=C2C3=C1C(=C(O3)C)C(=O)OCC)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C2=CC=CC=C2C3=C1C(=C(O3)C)C(=O)OCC)O

InChI

InChI=1S/C21H25NO4/c1-5-22(6-2)12-16-18-17(21(24)25-7-3)13(4)26-20(18)15-11-9-8-10-14(15)19(16)23/h8-11,23H,5-7,12H2,1-4H3/p+1