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

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(m-tolyl)oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-(3-methylphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(m-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=C3)C)C#N

Isomeric SMILES

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

InChI

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