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

Systemtic Name: 2-(3-chlorophenyl)-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-chlorophenyl)oxazole-4-carbonitrile CAS Name: 2-(3-chlorophenyl)-5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-chlorophenyl)oxazole-4-carbonitrile Formula: C27H24ClN4O+ MolecularWeight: 455.95866

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)C5=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)C5=CC(=CC=C5)Cl)C#N

InChI

InChI=1S/C27H23ClN4O/c28-23-13-7-12-22(18-23)26-30-24(19-29)27(33-26)32-16-14-31(15-17-32)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,25H,14-17H2/p+1