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

Systemtic Name: 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(E)-2-(4-ethoxyphenyl)vinyl]-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-5-(4-ethyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(E)-2-p-phenetylvinyl]oxazole-4-carbonitrile Formula: C20H25N4O2+ MolecularWeight: 353.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C=CC3=CC=C(C=C3)OCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2/c1-3-23-11-13-24(14-12-23)20-18(15-21)22-19(26-20)10-7-16-5-8-17(9-6-16)25-4-2/h5-10H,3-4,11-14H2,1-2H3/p+1/b10-7+