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

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)oxazole-4-carbonitrile CAS Name: 5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(2-methoxyphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)oxazole-4-carbonitrile Formula: C28H27N4O2+ MolecularWeight: 451.53958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=C(O2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=C(O2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C28H26N4O2/c1-33-25-15-9-8-14-23(25)27-30-24(20-29)28(34-27)32-18-16-31(17-19-32)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,26H,16-19H2,1H3/p+1