4-[4-[3-(4-chloranylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-(4-chloranylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(4-chlorophenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[3-(4-chlorophenoxy)propyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(4-chlorophenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-(4-chlorophenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22ClN3O3S/c21-18-4-6-19(7-5-18)27-15-1-10-23-11-13-24(14-12-23)28(25,26)20-8-2-17(16-22)3-9-20/h2-9H,1,10-15H2/p+1