N-[5-chloranyl-2-(4-ethoxyphenoxy)phenyl]-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[5-chloranyl-2-(4-ethoxyphenoxy)phenyl]-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-[4-(4-cyano-2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C26H27ClN5O3+ MolecularWeight: 492.97728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C26H26ClN5O3/c1-2-34-21-4-6-22(7-5-21)35-24-8-3-20(27)16-23(24)30-26(33)18-31-11-13-32(14-12-31)25-15-19(17-28)9-10-29-25/h3-10,15-16H,2,11-14,18H2,1H3,(H,30,33)/p+1