5-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)oxazole-4-carbonitrile CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-yl-4-oxazolecarbonitrile IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)oxazole-4-carbonitrile Formula: C13H15N4OS+ MolecularWeight: 275.3494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CS3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CS3)C#N

InChI

InChI=1S/C13H14N4OS/c1-16-4-6-17(7-5-16)13-10(9-14)15-12(18-13)11-3-2-8-19-11/h2-3,8H,4-7H2,1H3/p+1