2-[(3-chloranylphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(3-chloranylphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(3-chlorophenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(3-chlorophenoxy)methyl]-5-(4-methyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(3-chlorophenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(3-chlorophenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C16H18ClN4O2+ MolecularWeight: 333.79272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O2/c1-20-5-7-21(8-6-20)16-14(10-18)19-15(23-16)11-22-13-4-2-3-12(17)9-13/h2-4,9H,5-8,11H2,1H3/p+1