2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(4-methyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(4-chlorobenzyl)oxyphenyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C22H22ClN4O2+ MolecularWeight: 409.88868

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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=C(C=C4)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O2/c1-26-10-12-27(13-11-26)22-20(14-24)25-21(29-22)17-4-8-19(9-5-17)28-15-16-2-6-18(23)7-3-16/h2-9H,10-13,15H2,1H3/p+1