3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]benzonitrile CAS Name: 3-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]benzonitrile Traditional Name: 3-[(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=CC(=C2)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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