2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile Formula: C16H16ClFN3S+ MolecularWeight: 336.834743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C16H15ClFN3S/c17-16-5-4-12(22-16)11-20-6-8-21(9-7-20)15-3-1-2-14(18)13(15)10-19/h1-5H,6-9,11H2/p+1