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

Systemtic Name: 3-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C23H25N3+2 MolecularWeight: 343.4647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC(=C2)C#N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC(=C2)C#N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H23N3/c24-16-19-5-3-6-20(15-19)17-25-11-13-26(14-12-25)18-22-9-4-8-21-7-1-2-10-23(21)22/h1-10,15H,11-14,17-18H2/p+2