2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[[5-(4-fluorophenyl)oxazol-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[5-(4-fluorophenyl)-2-oxazolyl]methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[[5-(4-fluorophenyl)oxazol-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C21H20FN4O3S+ MolecularWeight: 427.471903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H19FN4O3S/c22-18-7-5-16(6-8-18)19-14-24-21(29-19)15-25-9-11-26(12-10-25)30(27,28)20-4-2-1-3-17(20)13-23/h1-8,14H,9-12,15H2/p+1