4-[[4-[(3,5-dimethylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3,5-dimethylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3,5-dimethylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3,5-dimethylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3,5-dimethylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3,5-dimethylbenzyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C21H27N3+2 MolecularWeight: 321.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H25N3/c1-17-11-18(2)13-21(12-17)16-24-9-7-23(8-10-24)15-20-5-3-19(14-22)4-6-20/h3-6,11-13H,7-10,15-16H2,1-2H3/p+2