N-[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[3-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C21H26ClN4O4+ MolecularWeight: 433.90854

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN4O4/c1-3-24-10-12-25(13-11-24)20-16(22)6-5-7-17(20)23-21(27)15-8-9-19(30-4-2)18(14-15)26(28)29/h5-9,14H,3-4,10-13H2,1-2H3,(H,23,27)/p+1