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

Systemtic Name: [5-ethyl-2-methyl-3-(2-nitrophenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium Openeye Name: [5-ethyl-4-hydroxy-2-methyl-3-(2-nitrophenoxy)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [5-ethyl-4-hydroxy-2-methyl-3-(2-nitrophenoxy)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [5-ethyl-4-hydroxy-2-methyl-3-(2-nitrophenoxy)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [5-ethyl-4-hydroxy-7-keto-2-methyl-3-(2-nitrophenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C21H27N2O6+ MolecularWeight: 403.44888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)C(C2C1=C(C(=C(O2)C)OC3=CC=CC=C3[N+](=O)[O-])O)C[NH+](C)C

Isomeric SMILES

CCC1CC(=O)C(C2C1=C(C(=C(O2)C)OC3=CC=CC=C3[N+](=O)[O-])O)C[NH+](C)C

InChI

InChI=1S/C21H26N2O6/c1-5-13-10-16(24)14(11-22(3)4)21-18(13)19(25)20(12(2)28-21)29-17-9-7-6-8-15(17)23(26)27/h6-9,13-14,21,25H,5,10-11H2,1-4H3/p+1