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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(3,4-dimethoxyphenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(3,4-dimethoxyphenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(3,4-dimethoxyphenyl)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C20H26NO5+ MolecularWeight: 360.42414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5/c1-21(2)10-14-16(22)7-6-13-19(23)15(11-26-20(13)14)12-5-8-17(24-3)18(9-12)25-4/h5,8-9,11,14,20,23H,6-7,10H2,1-4H3/p+1