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

Systemtic Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-methyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3/c1-22-8-10-23(11-9-22)19-15(13-20)21-18(26-19)7-5-14-4-6-16(24-2)17(12-14)25-3/h4-7,12H,8-11H2,1-3H3/p+1/b7-5+