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

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(3-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=C3)Cl

Isomeric SMILES

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

InChI

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