(4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[5-methyl-1-(4-nitrophenyl)-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methanone Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3/c1-3-19-8-10-20(11-9-19)17(23)16-12-18-21(13(16)2)14-4-6-15(7-5-14)22(24)25/h4-7,12H,3,8-11H2,1-2H3/p+1