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

Systemtic Name: 4-ethoxy-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-3-23-11-13-24(14-12-23)18-8-6-17(7-9-18)22-21(26)16-5-10-20(29-4-2)19(15-16)25(27)28/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,26)/p+1