[3-(2-bromanylphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-azanium

Systemtic Name: [3-(2-bromanylphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(2-bromophenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(2-bromophenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(2-bromophenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(2-bromophenoxy)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium Formula: C20H25BrNO4+ MolecularWeight: 423.3208

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1C2C(=C(C(=CO2)OC3=CC=CC=C3Br)O)CCC1=O

Isomeric SMILES

CC[NH+](CC)CC1C2C(=C(C(=CO2)OC3=CC=CC=C3Br)O)CCC1=O

InChI

InChI=1S/C20H24BrNO4/c1-3-22(4-2)11-14-16(23)10-9-13-19(24)18(12-25-20(13)14)26-17-8-6-5-7-15(17)21/h5-8,12,14,20,24H,3-4,9-11H2,1-2H3/p+1