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

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-methoxyphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-[(4-methoxyphenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-methoxyphenoxy)methyl]oxazole-4-carbonitrile Formula: C29H29N4O3+ MolecularWeight: 481.56556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NC(=C(O2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NC(=C(O2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C29H28N4O3/c1-34-24-12-14-25(15-13-24)35-21-27-31-26(20-30)29(36-27)33-18-16-32(17-19-33)28(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,28H,16-19,21H2,1H3/p+1