2-[(3-chloranylphenoxy)methyl]-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(3-chloranylphenoxy)methyl]-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(3-chlorophenoxy)methyl]oxazole-4-carbonitrile CAS Name: 2-[(3-chlorophenoxy)methyl]-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[(3-chlorophenoxy)methyl]oxazole-4-carbonitrile Formula: C22H22ClN4O2+ MolecularWeight: 409.88868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)COC4=CC(=CC=C4)Cl)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)COC4=CC(=CC=C4)Cl)C#N

InChI

InChI=1S/C22H21ClN4O2/c23-18-7-4-8-19(13-18)28-16-21-25-20(14-24)22(29-21)27-11-9-26(10-12-27)15-17-5-2-1-3-6-17/h1-8,13H,9-12,15-16H2/p+1