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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(3,4-dimethoxyphenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(3,4-dimethoxyphenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(3,4-dimethoxyphenyl)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium Formula: C22H30NO5+ MolecularWeight: 388.4773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5/c1-5-23(6-2)12-16-18(24)9-8-15-21(25)17(13-28-22(15)16)14-7-10-19(26-3)20(11-14)27-4/h7,10-11,13,16,22,25H,5-6,8-9,12H2,1-4H3/p+1