5-(4-methylpiperazin-4-ium-1-yl)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-benzyloxyphenyl)-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-(4-phenylmethoxyphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-benzoxyphenyl)-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H22N4O2/c1-25-11-13-26(14-12-25)22-20(15-23)24-21(28-22)18-7-9-19(10-8-18)27-16-17-5-3-2-4-6-17/h2-10H,11-14,16H2,1H3/p+1