(2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Formula: C13H16ClFN3+ MolecularWeight: 268.737643

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C#N)C2=C(C=CC=C2Cl)F

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C#N)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H15ClFN3/c1-17-5-7-18(8-6-17)12(9-16)13-10(14)3-2-4-11(13)15/h2-4,12H,5-8H2,1H3/p+1/t12-/m1/s1