4-[[4-(3-fluoranyl-4-methyl-phenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-fluoranyl-4-methyl-phenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-fluoro-4-methyl-benzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-fluoro-4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-fluoro-4-methylbenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-fluoro-4-methyl-benzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H21FN3O+ MolecularWeight: 338.398643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C20H20FN3O/c1-15-2-7-18(12-19(15)21)20(25)24-10-8-23(9-11-24)14-17-5-3-16(13-22)4-6-17/h2-7,12H,8-11,14H2,1H3/p+1