decyl-dimethyl-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]azanium; dimethyl-octyl-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]azanium; dodecyl-dimethyl-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]azanium

Systemtic Name: decyl-dimethyl-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]azanium; dimethyl-octyl-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]azanium; dodecyl-dimethyl-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]azanium Openeye Name: decyl-[(5-hydroxy-4-oxo-pyran-2-yl)methyl]-dimethyl-ammonium; dodecyl-[(5-hydroxy-4-oxo-pyran-2-yl)methyl]-dimethyl-ammonium; (5-hydroxy-4-oxo-pyran-2-yl)methyl-dimethyl-octyl-ammonium CAS Name: decyl-[(5-hydroxy-4-oxo-2-pyranyl)methyl]-dimethylammonium; dodecyl-[(5-hydroxy-4-oxo-2-pyranyl)methyl]-dimethylammonium; (5-hydroxy-4-oxo-2-pyranyl)methyl-dimethyl-octylammonium IUPAC Name: decyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]-dimethylazanium; dodecyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]-dimethylazanium; (5-hydroxy-4-oxopyran-2-yl)methyl-dimethyl-octylazanium Traditional Name: decyl-[(5-hydroxy-4-keto-pyran-2-yl)methyl]-dimethyl-ammonium; (5-hydroxy-4-keto-pyran-2-yl)methyl-dimethyl-octyl-ammonium; (5-hydroxy-4-keto-pyran-2-yl)methyl-lauryl-dimethyl-ammonium Formula: C54H96N3O9+3 MolecularWeight: 931.35474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC(=O)C(=CO1)O.CCCCCCCCCC[N+](C)(C)CC1=CC(=O)C(=CO1)O.CCCCCCCC[N+](C)(C)CC1=CC(=O)C(=CO1)O

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC(=O)C(=CO1)O.CCCCCCCCCC[N+](C)(C)CC1=CC(=O)C(=CO1)O.CCCCCCCC[N+](C)(C)CC1=CC(=O)C(=CO1)O

InChI

InChI=1S/C20H35NO3.C18H31NO3.C16H27NO3/c1-4-5-6-7-8-9-10-11-12-13-14-21(2,3)16-18-15-19(22)20(23)17-24-18;1-4-5-6-7-8-9-10-11-12-19(2,3)14-16-13-17(20)18(21)15-22-16;1-4-5-6-7-8-9-10-17(2,3)12-14-11-15(18)16(19)13-20-14/h15,17H,4-14,16H2,1-3H3;13,15H,4-12,14H2,1-3H3;11,13H,4-10,12H2,1-3H3/p+3