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

Systemtic Name: [3-(2-methoxyphenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [4-hydroxy-7-keto-3-(2-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diisobutyl-ammonium Formula: C25H36NO4+ MolecularWeight: 414.55764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1C2C(=C(C(=CO2)C3=CC=CC=C3OC)O)CCC1=O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1C2C(=C(C(=CO2)C3=CC=CC=C3OC)O)CCC1=O)CC(C)C

InChI

InChI=1S/C25H35NO4/c1-16(2)12-26(13-17(3)4)14-20-22(27)11-10-19-24(28)21(15-30-25(19)20)18-8-6-7-9-23(18)29-5/h6-9,15-17,20,25,28H,10-14H2,1-5H3/p+1