2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-5-nitro-benzonitrile Formula: C19H20ClN4O3+ MolecularWeight: 387.8401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O3/c20-16-1-4-18(5-2-16)27-12-11-22-7-9-23(10-8-22)19-6-3-17(24(25)26)13-15(19)14-21/h1-6,13H,7-12H2/p+1