3-[[(2S)-4-[(5-cyano-2-fluoranyl-phenyl)methyl]-2-methyl-piperazin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[(2S)-4-[(5-cyano-2-fluoranyl-phenyl)methyl]-2-methyl-piperazin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[(2S)-4-[(5-cyano-2-fluoro-phenyl)methyl]-2-methyl-piperazin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[(2S)-4-[(5-cyano-2-fluorophenyl)methyl]-2-methyl-1-piperazin-1-iumyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[(2S)-4-[(5-cyano-2-fluorophenyl)methyl]-2-methylpiperazin-1-ium-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[(2S)-4-(5-cyano-2-fluoro-benzyl)-2-methyl-piperazin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile Formula: C21H21F2N4+ MolecularWeight: 367.415046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1CC2=C(C=CC(=C2)C#N)F)CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C[C@H]1CN(CC[NH+]1CC2=C(C=CC(=C2)C#N)F)CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C21H20F2N4/c1-15-12-26(13-18-8-16(10-24)2-4-20(18)22)6-7-27(15)14-19-9-17(11-25)3-5-21(19)23/h2-5,8-9,15H,6-7,12-14H2,1H3/p+1/t15-/m0/s1