4-[2-(1-adamantyl)-4-methyl-chromen-7-ylidene]morpholin-4-ium tetrafluoroborate

Systemtic Name: 4-[2-(1-adamantyl)-4-methyl-chromen-7-ylidene]morpholin-4-ium tetrafluoroborate Openeye Name: 4-[2-(1-adamantyl)-4-methyl-chromen-7-ylidene]morpholin-4-ium tetrafluoroborate CAS Name: 4-[2-(1-adamantyl)-4-methyl-1-benzopyran-7-ylidene]morpholin-4-ium tetrafluoroborate IUPAC Name: 4-[2-(1-adamantyl)-4-methylchromen-7-ylidene]morpholin-4-ium tetrafluoroborate Traditional Name: 4-[2-(1-adamantyl)-4-methyl-chromen-7-ylidene]morpholin-4-ium tetrafluoroborate Formula: C24H30BF4NO2 MolecularWeight: 451.305113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=C2C=CC(=[N+]3CCOCC3)C=C2OC(=C1)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

[B-](F)(F)(F)F.CC1=C2C=CC(=[N+]3CCOCC3)C=C2OC(=C1)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H30NO2.BF4/c1-16-8-23(24-13-17-9-18(14-24)11-19(10-17)15-24)27-22-12-20(2-3-21(16)22)25-4-6-26-7-5-25;2-1(3,4)5/h2-3,8,12,17-19H,4-7,9-11,13-15H2,1H3;/q+1;-1