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

Systemtic Name: [3-(4-methoxyphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [4-hydroxy-3-(4-methoxyphenoxy)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [4-hydroxy-3-(4-methoxyphenoxy)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [4-hydroxy-3-(4-methoxyphenoxy)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [4-hydroxy-7-keto-3-(4-methoxyphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diisobutyl-ammonium Formula: C25H36NO5+ MolecularWeight: 430.55704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1C2C(=C(C(=CO2)OC3=CC=C(C=C3)OC)O)CCC1=O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1C2C(=C(C(=CO2)OC3=CC=C(C=C3)OC)O)CCC1=O)CC(C)C

InChI

InChI=1S/C25H35NO5/c1-16(2)12-26(13-17(3)4)14-21-22(27)11-10-20-24(28)23(15-30-25(20)21)31-19-8-6-18(29-5)7-9-19/h6-9,15-17,21,25,28H,10-14H2,1-5H3/p+1