4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C18H19ClN3+ MolecularWeight: 312.81656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H18ClN3/c19-17-3-1-2-4-18(17)22-11-9-21(10-12-22)14-16-7-5-15(13-20)6-8-16/h1-8H,9-12,14H2/p+1