(2R)-3-oxidanylidene-2-phenyl-4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butanenitrile

Systemtic Name: (2R)-3-oxidanylidene-2-phenyl-4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butanenitrile Openeye Name: (2R)-4-(4-benzylpiperazine-1,4-diium-1-yl)-3-oxo-2-phenyl-butanenitrile CAS Name: (2R)-3-oxo-2-phenyl-4-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]butanenitrile IUPAC Name: (2R)-4-(4-benzylpiperazine-1,4-diium-1-yl)-3-oxo-2-phenylbutanenitrile Traditional Name: (2R)-4-(4-benzylpiperazine-1,4-diium-1-yl)-3-keto-2-phenyl-butyronitrile Formula: C21H25N3O+2 MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O/c22-15-20(19-9-5-2-6-10-19)21(25)17-24-13-11-23(12-14-24)16-18-7-3-1-4-8-18/h1-10,20H,11-14,16-17H2/p+2/t20-/m0/s1