N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[(3-nitrophenyl)amino]ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-nitroanilino)acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(3-nitroanilino)acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-nitroanilino)acetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-nitroanilino)acetamide Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3/c1-2-23-10-12-24(13-11-23)18-8-6-16(7-9-18)22-20(26)15-21-17-4-3-5-19(14-17)25(27)28/h3-9,14,21H,2,10-13,15H2,1H3,(H,22,26)/p+1