5-(4-methylpiperazin-4-ium-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(phenoxymethyl)oxazole-4-carbonitrile CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-(phenoxymethyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(phenoxymethyl)oxazole-4-carbonitrile Formula: C16H19N4O2+ MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)COC3=CC=CC=C3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)COC3=CC=CC=C3)C#N

InChI

InChI=1S/C16H18N4O2/c1-19-7-9-20(10-8-19)16-14(11-17)18-15(22-16)12-21-13-5-3-2-4-6-13/h2-6H,7-10,12H2,1H3/p+1