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

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(phenoxymethyl)oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-(phenoxymethyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(phenoxymethyl)oxazole-4-carbonitrile Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2/c1-2-20-8-10-21(11-9-20)17-15(12-18)19-16(23-17)13-22-14-6-4-3-5-7-14/h3-7H,2,8-11,13H2,1H3/p+1