2-(3-chlorophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(3-chlorophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(3-chlorophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-(3-chlorophenyl)-5-(4-ethyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-(3-chlorophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(3-chlorophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C16H18ClN4O+ MolecularWeight: 317.79332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O/c1-2-20-6-8-21(9-7-20)16-14(11-18)19-15(22-16)12-4-3-5-13(17)10-12/h3-5,10H,2,6-9H2,1H3/p+1