ethyl 5-propan-2-ylidene-6H-isoquinolino[2,1-b]isoquinolin-7-ium-13-carboxylate hexafluorophosphate

Systemtic Name: ethyl 5-propan-2-ylidene-6H-isoquinolino[2,1-b]isoquinolin-7-ium-13-carboxylate hexafluorophosphate Openeye Name: ethyl 5-isopropylidene-6H-isoquinolino[2,1-b]isoquinolin-7-ium-13-carboxylate hexafluorophosphate CAS Name: 5-propan-2-ylidene-6H-isoquinolino[2,1-b]isoquinolin-7-ium-13-carboxylic acid ethyl ester hexafluorophosphate IUPAC Name: ethyl 5-propan-2-ylidene-6H-isoquinolino[2,1-b]isoquinolin-7-ium-13-carboxylate hexafluorophosphate Traditional Name: 5-isopropylidene-6H-isoquinolin[2,1-b]isoquinolin-7-ium-13-carboxylic acid ethyl ester hexafluorophosphate Formula: C23H22F6NO2P MolecularWeight: 489.39046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C3=CC=CC=C3C(=C(C)C)C[N+]2=CC4=CC=CC=C41.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C2C3=CC=CC=C3C(=C(C)C)C[N+]2=CC4=CC=CC=C41.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C23H22NO2.F6P/c1-4-26-23(25)21-17-10-6-5-9-16(17)13-24-14-20(15(2)3)18-11-7-8-12-19(18)22(21)24;1-7(2,3,4,5)6/h5-13H,4,14H2,1-3H3;/q+1;-1