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

Systemtic Name: 2-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-[4-[[5-(3-fluorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]-5-nitro-pyridine-3-carbonitrile CAS Name: 2-[4-[[5-(3-fluorophenyl)-2-thiophenyl]methyl]-1-piperazin-4-iumyl]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]-5-nitropyridine-3-carbonitrile Traditional Name: 2-[4-[[5-(3-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=C3)F)C4=NC=C(C=C4C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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