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

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetonitrile Formula: C12H15ClN3+ MolecularWeight: 236.7206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3/c13-11-2-1-3-12(10-11)16-8-6-15(5-4-14)7-9-16/h1-3,10H,5-9H2/p+1