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

Systemtic Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-ethyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-4-23-9-11-24(12-10-23)20-16(14-21)22-19(27-20)8-6-15-5-7-17(25-2)18(13-15)26-3/h5-8,13H,4,9-12H2,1-3H3/p+1/b8-6+