4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,5-dimethoxybenzyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C21H27N3O2+2 MolecularWeight: 353.45798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N3O2/c1-25-20-7-8-21(26-2)19(13-20)16-24-11-9-23(10-12-24)15-18-5-3-17(14-22)4-6-18/h3-8,13H,9-12,15-16H2,1-2H3/p+2