4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]-2-(4-fluorophenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]-2-(4-fluorophenyl)isoquinoline-1,3-dione Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylene]-2-(4-fluorophenyl)isoquinoline-1,3-dione CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)methylidene]-2-(4-fluorophenyl)isoquinoline-1,3-dione IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]-2-(4-fluorophenyl)isoquinoline-1,3-dione Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylene]-2-(4-fluorophenyl)isoquinoline-1,3-quinone Formula: C22H23FN3O2+ MolecularWeight: 380.435323

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O2/c1-2-24-11-13-25(14-12-24)15-20-18-5-3-4-6-19(18)21(27)26(22(20)28)17-9-7-16(23)8-10-17/h3-10,15H,2,11-14H2,1H3/p+1