3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[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=CC(=C2)C#N)C3=CC=CC=C3Cl

Isomeric SMILES

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

InChI

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