4-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]benzonitrile CAS Name: 4-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]benzonitrile Formula: C25H27N3+2 MolecularWeight: 369.50198

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3/c26-19-21-11-13-22(14-12-21)20-27-15-17-28(18-16-27)25(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25H,15-18,20H2/p+2