1-[4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[5-(4-ethyl-1-piperazin-4-iumyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]-2,2-dimethyl-propan-1-one Formula: C21H33FN5O3+ MolecularWeight: 422.516823

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C(C)(C)C)[N+](=O)[O-])F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C(C)(C)C)[N+](=O)[O-])F

InChI

InChI=1S/C21H32FN5O3/c1-5-23-6-8-24(9-7-23)17-15-18(19(27(29)30)14-16(17)22)25-10-12-26(13-11-25)20(28)21(2,3)4/h14-15H,5-13H2,1-4H3/p+1