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

Systemtic Name: [3-(2,4-dichlorophenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(2,4-dichlorophenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(2,4-dichlorophenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(2,4-dichlorophenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(2,4-dichlorophenyl)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium Formula: C20H24Cl2NO3+ MolecularWeight: 397.31546

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1C2C(=C(C(=CO2)C3=C(C=C(C=C3)Cl)Cl)O)CCC1=O

Isomeric SMILES

CC[NH+](CC)CC1C2C(=C(C(=CO2)C3=C(C=C(C=C3)Cl)Cl)O)CCC1=O

InChI

InChI=1S/C20H23Cl2NO3/c1-3-23(4-2)10-15-18(24)8-7-14-19(25)16(11-26-20(14)15)13-6-5-12(21)9-17(13)22/h5-6,9,11,15,20,25H,3-4,7-8,10H2,1-2H3/p+1