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

Systemtic Name: 2-[(E)-2-(3-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(E)-2-(3-methoxyphenyl)vinyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(E)-2-(3-methoxyphenyl)ethenyl]-5-(4-methyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(E)-2-(3-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(E)-2-(3-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=C3)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2/c1-21-8-10-22(11-9-21)18-16(13-19)20-17(24-18)7-6-14-4-3-5-15(12-14)23-2/h3-7,12H,8-11H2,1-2H3/p+1/b7-6+