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

Systemtic Name: [3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium Openeye Name: [4-hydroxy-3-(4-methoxycarbonylphenoxy)-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [4-hydroxy-3-(4-methoxycarbonylphenoxy)-2-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [4-hydroxy-3-(4-methoxycarbonylphenoxy)-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(4-carbomethoxyphenoxy)-4-hydroxy-7-keto-2-methyl-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C21H26NO6+ MolecularWeight: 388.43424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)C)O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)C)O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25NO6/c1-12-19(28-14-7-5-13(6-8-14)21(25)26-4)18(24)15-9-10-17(23)16(11-22(2)3)20(15)27-12/h5-8,16,20,24H,9-11H2,1-4H3/p+1