2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]nicotinonitrile Formula: C17H17ClFN4+ MolecularWeight: 331.795083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C3=C(C=CC=N3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C17H16ClFN4/c18-15-4-1-5-16(19)14(15)12-22-7-9-23(10-8-22)17-13(11-20)3-2-6-21-17/h1-6H,7-10,12H2/p+1