N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-nitrophenoxy)acetamide Formula: C20H24ClN4O4+ MolecularWeight: 419.88196

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C20H23ClN4O4/c1-2-23-9-11-24(12-10-23)17-8-7-15(13-16(17)21)22-20(26)14-29-19-6-4-3-5-18(19)25(27)28/h3-8,13H,2,9-12,14H2,1H3,(H,22,26)/p+1