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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1C2C(=C(C(=CO2)OC3=CC=CC=C3OC)O)CCC1=O

Isomeric SMILES

CC[NH+](CC)CC1C2C(=C(C(=CO2)OC3=CC=CC=C3OC)O)CCC1=O

InChI

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