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2-fluoranyl-6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile
2-fluoranyl-6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N
Isomeric SMILES
CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N
InChI
InChI=1S/C19H20FN3/c1-15-4-2-5-16(12-15)14-22-8-10-23(11-9-22)19-7-3-6-18(20)17(19)13-21/h2-7,12H,8-11,14H2,1H3/p+1
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