(E)-3-[4-(4-fluorophenyl)-2-oxidanidyl-2-propan-2-yl-1H-isoquinolin-2-ium-3-yl]prop-2-enal

Systemtic Name: (E)-3-[4-(4-fluorophenyl)-2-oxidanidyl-2-propan-2-yl-1H-isoquinolin-2-ium-3-yl]prop-2-enal Openeye Name: (E)-3-[4-(4-fluorophenyl)-2-isopropyl-2-oxido-1H-isoquinolin-2-ium-3-yl]prop-2-enal CAS Name: (E)-3-[4-(4-fluorophenyl)-2-oxido-2-propan-2-yl-1H-isoquinolin-2-ium-3-yl]-2-propenal IUPAC Name: (E)-3-[4-(4-fluorophenyl)-2-oxido-2-propan-2-yl-1H-isoquinolin-2-ium-3-yl]prop-2-enal Traditional Name: (E)-3-[4-(4-fluorophenyl)-2-isopropyl-2-oxido-1H-isoquinolin-2-ium-3-yl]acrolein Formula: C21H20FNO2 MolecularWeight: 337.387403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(CC2=CC=CC=C2C(=C1C=CC=O)C3=CC=C(C=C3)F)[O-]

Isomeric SMILES

CC(C)[N+]1(CC2=CC=CC=C2C(=C1/C=C/C=O)C3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C21H20FNO2/c1-15(2)23(25)14-17-6-3-4-7-19(17)21(20(23)8-5-13-24)16-9-11-18(22)12-10-16/h3-13,15H,14H2,1-2H3/b8-5+