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

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(o-tolyl)oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-(2-methylphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(o-tolyl)oxazole-4-carbonitrile Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3C)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3C)C#N

InChI

InChI=1S/C17H20N4O/c1-3-20-8-10-21(11-9-20)17-15(12-18)19-16(22-17)14-7-5-4-6-13(14)2/h4-7H,3,8-11H2,1-2H3/p+1