5-(4-ethylpiperazin-4-ium-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(E)-2-(2-thienyl)vinyl]oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-[(E)-2-thiophen-2-ylethenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(E)-2-(2-thienyl)vinyl]oxazole-4-carbonitrile Formula: C16H19N4OS+ MolecularWeight: 315.41326

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C=CC3=CC=CS3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4OS/c1-2-19-7-9-20(10-8-19)16-14(12-17)18-15(21-16)6-5-13-4-3-11-22-13/h3-6,11H,2,7-10H2,1H3/p+1/b6-5+