2,2-diphenyl-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile

Systemtic Name: 2,2-diphenyl-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: 2,2-diphenyl-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile CAS Name: 2,2-diphenyl-4-(4-phenyl-1-piperazin-1-iumyl)butanenitrile IUPAC Name: 2,2-diphenyl-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: 2,2-diphenyl-4-(4-phenylpiperazin-1-ium-1-yl)butyronitrile Formula: C26H28N3+ MolecularWeight: 382.52062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3/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/p+1