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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(2-nitrophenyl)ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(2-nitrophenyl)acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-2-(2-nitrophenyl)acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-2-(2-nitrophenyl)acetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(2-nitrophenyl)acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O3/c1-3-23-10-12-24(13-11-23)18-8-9-19(16(2)14-18)22-21(26)15-17-6-4-5-7-20(17)25(27)28/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,26)/p+1