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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(3,4-dimethoxyphenyl)-4-hydroxy-7-keto-2-methyl-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C21H28NO5+ MolecularWeight: 374.45072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5/c1-12-19(13-6-9-17(25-4)18(10-13)26-5)20(24)14-7-8-16(23)15(11-22(2)3)21(14)27-12/h6,9-10,15,21,24H,7-8,11H2,1-5H3/p+1