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

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-chlorophenoxy)methyl]oxazole-4-carbonitrile CAS Name: 2-[(4-chlorophenoxy)methyl]-5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-chlorophenoxy)methyl]oxazole-4-carbonitrile Formula: C28H26ClN4O2+ MolecularWeight: 485.98464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(O4)COC5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(O4)COC5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C28H25ClN4O2/c29-23-11-13-24(14-12-23)34-20-26-31-25(19-30)28(35-26)33-17-15-32(16-18-33)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,27H,15-18,20H2/p+1