2,2-diphenyl-4-piperazine-1,4-diium-1-yl-butanenitrile dichloride

Systemtic Name: 2,2-diphenyl-4-piperazine-1,4-diium-1-yl-butanenitrile dichloride Openeye Name: 2,2-diphenyl-4-piperazine-1,4-diium-1-yl-butanenitrile dichloride CAS Name: 2,2-diphenyl-4-(1-piperazine-1,4-diiumyl)butanenitrile dichloride IUPAC Name: 2,2-diphenyl-4-piperazine-1,4-diium-1-ylbutanenitrile dichloride Traditional Name: 2,2-diphenyl-4-piperazine-1,4-diium-1-yl-butyronitrile dichloride Formula: C20H25Cl2N3 MolecularWeight: 378.3386

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C20H23N3.2ClH/c21-17-20(18-7-3-1-4-8-18,19-9-5-2-6-10-19)11-14-23-15-12-22-13-16-23;;/h1-10,22H,11-16H2;2*1H