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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butyronitrile Formula: C14H19ClN3+ MolecularWeight: 264.77376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3/c15-13-4-3-5-14(12-13)18-10-8-17(9-11-18)7-2-1-6-16/h3-5,12H,1-2,7-11H2/p+1