2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 2-[(4-veratrylpiperazine-1,4-diium-1-yl)methyl]benzonitrile Formula: C21H27N3O2+2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C#N)OC

InChI

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