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

Systemtic Name: N-[5-chloranyl-2-(4-ethoxyphenoxy)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C24H27ClN5O3+ MolecularWeight: 468.95588

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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=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H26ClN5O3/c1-2-32-19-5-7-20(8-6-19)33-22-9-4-18(25)16-21(22)28-23(31)17-29-12-14-30(15-13-29)24-26-10-3-11-27-24/h3-11,16H,2,12-15,17H2,1H3,(H,28,31)/p+1