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

Systemtic Name: 2-[(3-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-[(3-chlorophenoxy)methyl]oxazole-4-carbonitrile CAS Name: 2-[(3-chlorophenoxy)methyl]-5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(3-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(=CC=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(=CC=C5)Cl)C#N

InChI

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