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

Systemtic Name: [3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(4-ethoxycarbonylphenoxy)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(4-ethoxycarbonylphenoxy)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(4-ethoxycarbonylphenoxy)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(4-carbethoxyphenoxy)-4-hydroxy-7-keto-2-methyl-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium Formula: C24H32NO6+ MolecularWeight: 430.51398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO6/c1-5-25(6-2)14-19-20(26)13-12-18-21(27)22(15(4)30-23(18)19)31-17-10-8-16(9-11-17)24(28)29-7-3/h8-11,19,23,27H,5-7,12-14H2,1-4H3/p+1