[(9aR,10aS)-6-(diethylamino)-9a,10a-dihydroxanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [(9aR,10aS)-6-(diethylamino)-9a,10a-dihydroxanthen-3-ylidene]-diethyl-azanium Openeye Name: [(9aR,10aS)-6-(diethylamino)-9a,10a-dihydroxanthen-3-ylidene]-diethyl-ammonium CAS Name: [(9aR,10aS)-6-(diethylamino)-9a,10a-dihydroxanthen-3-ylidene]-diethylammonium IUPAC Name: [(9aR,10aS)-6-(diethylamino)-9a,10a-dihydroxanthen-3-ylidene]-diethylazanium Traditional Name: [(9aR,10aS)-6-(diethylamino)-9a,10a-dihydroxanthen-3-ylidene]-diethyl-ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2C(=CC3C=CC(=[N+](CC)CC)C=C3O2)C=C1

Isomeric SMILES

CCN(CC)C1=C[C@H]2C(=C[C@H]3C=CC(=[N+](CC)CC)C=C3O2)C=C1

InChI

InChI=1S/C21H29N2O/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18/h9-16,21H,5-8H2,1-4H3/q+1/t16-,21+/m1/s1