4-[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C19H21ClN3+ MolecularWeight: 326.84314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)C#N

InChI

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