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

Systemtic Name: diethyl-[[3-(4-methoxyphenoxy)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: diethyl-[[4-hydroxy-3-(4-methoxyphenoxy)-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]ammonium CAS Name: diethyl-[[4-hydroxy-3-(4-methoxyphenoxy)-2-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[4-hydroxy-3-(4-methoxyphenoxy)-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Traditional Name: diethyl-[[4-hydroxy-7-keto-3-(4-methoxyphenoxy)-2-methyl-5,6,8,8a-tetrahydrochromen-8-yl]methyl]ammonium Formula: C22H30NO5+ MolecularWeight: 388.4773

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1C2C(=C(C(=C(O2)C)OC3=CC=C(C=C3)OC)O)CCC1=O

Isomeric SMILES

CC[NH+](CC)CC1C2C(=C(C(=C(O2)C)OC3=CC=C(C=C3)OC)O)CCC1=O

InChI

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