2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-(2-furyl)-5-[4-(thiazol-4-ylmethyl)piperazin-4-ium-1-yl]oxazole-4-carbonitrile CAS Name: 2-(2-furanyl)-5-[4-(4-thiazolylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 2-(furan-2-yl)-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-(2-furyl)-5-[4-(thiazol-4-ylmethyl)piperazin-4-ium-1-yl]oxazole-4-carbonitrile Formula: C16H16N5O2S+ MolecularWeight: 342.39554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=N2)C3=C(N=C(O3)C4=CC=CO4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=N2)C3=C(N=C(O3)C4=CC=CO4)C#N

InChI

InChI=1S/C16H15N5O2S/c17-8-13-16(23-15(19-13)14-2-1-7-22-14)21-5-3-20(4-6-21)9-12-10-24-11-18-12/h1-2,7,10-11H,3-6,9H2/p+1