3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 3-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]benzonitrile Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20ClN3O2/c21-18-4-6-19(7-5-18)26-13-12-23-8-10-24(11-9-23)20(25)17-3-1-2-16(14-17)15-22/h1-7,14H,8-13H2/p+1