2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-[4-[[5-(2-fluorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]-5-nitro-pyridine-3-carbonitrile CAS Name: 2-[4-[[5-(2-fluorophenyl)-2-thiophenyl]methyl]-1-piperazin-4-iumyl]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]-5-nitropyridine-3-carbonitrile Traditional Name: 2-[4-[[5-(2-fluorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]-5-nitro-nicotinonitrile Formula: C21H19FN5O2S+ MolecularWeight: 424.471263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3F)C4=NC=C(C=C4C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3F)C4=NC=C(C=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H18FN5O2S/c22-19-4-2-1-3-18(19)20-6-5-17(30-20)14-25-7-9-26(10-8-25)21-15(12-23)11-16(13-24-21)27(28)29/h1-6,11,13H,7-10,14H2/p+1