2,2-diphenyl-4-(4-phenylpiperazine-1,4-diium-1-yl)butanenitrile dichloride

Systemtic Name: 2,2-diphenyl-4-(4-phenylpiperazine-1,4-diium-1-yl)butanenitrile dichloride Openeye Name: 2,2-diphenyl-4-(4-phenylpiperazine-1,4-diium-1-yl)butanenitrile dichloride CAS Name: 2,2-diphenyl-4-(4-phenyl-1-piperazine-1,4-diiumyl)butanenitrile dichloride IUPAC Name: 2,2-diphenyl-4-(4-phenylpiperazine-1,4-diium-1-yl)butanenitrile dichloride Traditional Name: 2,2-diphenyl-4-(4-phenylpiperazine-1,4-diium-1-yl)butyronitrile dichloride Formula: C26H29Cl2N3 MolecularWeight: 454.43456

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C26H27N3.2ClH/c27-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)16-17-28-18-20-29(21-19-28)25-14-8-3-9-15-25;;/h1-15H,16-21H2;2*1H