2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethoxy]benzonitrile Formula: C26H26N3O2+ MolecularWeight: 412.50354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COC4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3O2/c27-19-23-13-7-8-14-24(23)31-20-25(30)28-15-17-29(18-16-28)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,26H,15-18,20H2/p+1