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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-propyl-pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-propyl-pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(4-nitrophenyl)-5-propyl-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-propylpyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-propyl-pyrazol-4-yl]methanone Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C19H25N5O3/c1-3-5-18-17(19(25)22-12-10-21(4-2)11-13-22)14-20-23(18)15-6-8-16(9-7-15)24(26)27/h6-9,14H,3-5,10-13H2,1-2H3/p+1