2-[2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-2-keto-ethoxy]benzonitrile Formula: C21H23ClN3O3+ MolecularWeight: 400.87862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C21H22ClN3O3/c22-18-5-7-19(8-6-18)27-14-13-24-9-11-25(12-10-24)21(26)16-28-20-4-2-1-3-17(20)15-23/h1-8H,9-14,16H2/p+1