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

Systemtic Name: 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[[5-(2-furyl)isoxazol-3-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[5-(2-furanyl)-3-isoxazolyl]methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[[5-(2-furyl)isoxazol-3-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C19H19N4O4S+ MolecularWeight: 399.44356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H18N4O4S/c20-13-15-4-1-2-6-19(15)28(24,25)23-9-7-22(8-10-23)14-16-12-18(27-21-16)17-5-3-11-26-17/h1-6,11-12H,7-10,14H2/p+1