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

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[5-[(4-methylphenoxy)methyl]-2-furyl]oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-[5-[(4-methylphenoxy)methyl]-2-furanyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[5-[(4-methylphenoxy)methyl]-2-furyl]oxazole-4-carbonitrile Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(O3)COC4=CC=C(C=C4)C)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(O3)COC4=CC=C(C=C4)C)C#N

InChI

InChI=1S/C22H24N4O3/c1-3-25-10-12-26(13-11-25)22-19(14-23)24-21(29-22)20-9-8-18(28-20)15-27-17-6-4-16(2)5-7-17/h4-9H,3,10-13,15H2,1-2H3/p+1