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

Systemtic Name: 3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzonitrile CAS Name: 3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzonitrile Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzonitrile Formula: C19H23N3+2 MolecularWeight: 293.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H21N3/c20-14-18-7-4-8-19(13-18)16-22-11-9-21(10-12-22)15-17-5-2-1-3-6-17/h1-8,13H,9-12,15-16H2/p+2