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

Systemtic Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-5-nitro-benzonitrile Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H22N4O4/c1-27-18-3-5-19(6-4-18)28-13-12-22-8-10-23(11-9-22)20-7-2-17(24(25)26)14-16(20)15-21/h2-7,14H,8-13H2,1H3/p+1