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

Systemtic Name: 2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(E)-2-(2-methoxyphenyl)vinyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-(4-methyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(E)-2-(2-methoxyphenyl)vinyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C=CC3=CC=CC=C3OC)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)/C=C/C3=CC=CC=C3OC)C#N

InChI

InChI=1S/C18H20N4O2/c1-21-9-11-22(12-10-21)18-15(13-19)20-17(24-18)8-7-14-5-3-4-6-16(14)23-2/h3-8H,9-12H2,1-2H3/p+1/b8-7+