4-fluoranyl-3-[[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-fluoro-3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-fluoro-3-[[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-fluoro-3-[[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C20H23FN3+ MolecularWeight: 324.415123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C20H22FN3/c1-16-4-2-3-5-18(16)14-23-8-10-24(11-9-23)15-19-12-17(13-22)6-7-20(19)21/h2-7,12H,8-11,14-15H2,1H3/p+1