2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-(1H-pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C21H22FN4O+ MolecularWeight: 365.423983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C3NC=CC=N3)C=CC2=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C3NC=CC=N3)C=CC2=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O/c22-18-3-5-19(6-4-18)26-12-10-25(11-13-26)15-17-14-16(2-7-20(17)27)21-23-8-1-9-24-21/h1-9,14,23H,10-13,15H2/p+1