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

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(3-methylphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-[(3-methylphenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[(3-methylphenoxy)methyl]oxazole-4-carbonitrile Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2/c1-3-21-7-9-22(10-8-21)18-16(12-19)20-17(24-18)13-23-15-6-4-5-14(2)11-15/h4-6,11H,3,7-10,13H2,1-2H3/p+1