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

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-benzyl-oxazole-4-carbonitrile CAS Name: 5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(phenylmethyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-benzyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-benzyl-oxazole-4-carbonitrile Formula: C28H27N4O+ MolecularWeight: 435.54018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(O4)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(O4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C28H26N4O/c29-21-25-28(33-26(30-25)20-22-10-4-1-5-11-22)32-18-16-31(17-19-32)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,27H,16-20H2/p+1