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

Systemtic Name: 3-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 3-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C20H25N3+2 MolecularWeight: 307.4326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3/c1-17-4-2-6-19(12-17)15-22-8-10-23(11-9-22)16-20-7-3-5-18(13-20)14-21/h2-7,12-13H,8-11,15-16H2,1H3/p+2