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

Systemtic Name: [3-(2-ethoxyphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(2-ethoxyphenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(2-ethoxyphenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(2-ethoxyphenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(2-ethoxyphenoxy)-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)OC3=CC=CC=C3OCC)O)CCC1=O

Isomeric SMILES

CC[NH+](CC)CC1C2C(=C(C(=CO2)OC3=CC=CC=C3OCC)O)CCC1=O

InChI

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