butyl-[[3-(3,5-dimethylphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-azanium

Systemtic Name: butyl-[[3-(3,5-dimethylphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-azanium Openeye Name: butyl-[[3-(3,5-dimethylphenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium CAS Name: butyl-[[3-(3,5-dimethylphenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl]-methylammonium IUPAC Name: butyl-[[3-(3,5-dimethylphenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methylazanium Traditional Name: butyl-[[3-(3,5-dimethylphenoxy)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium Formula: C23H32NO4+ MolecularWeight: 386.50448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4/c1-5-6-9-24(4)13-19-20(25)8-7-18-22(26)21(14-27-23(18)19)28-17-11-15(2)10-16(3)12-17/h10-12,14,19,23,26H,5-9,13H2,1-4H3/p+1