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

Systemtic Name: 3-[[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(4-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 3-[[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(4-chlorobenzyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C19H22ClN3+2 MolecularWeight: 327.85108

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)Cl)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)Cl)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H20ClN3/c20-19-6-4-16(5-7-19)14-22-8-10-23(11-9-22)15-18-3-1-2-17(12-18)13-21/h1-7,12H,8-11,14-15H2/p+2