(4-ethylpiperazin-4-ium-1-yl)-[5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[5-(5-methyl-2-furyl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[5-(5-methyl-2-furanyl)-2-(3-nitrophenyl)-3-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[5-(5-methyl-2-furyl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(O4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(O4)C

InChI

InChI=1S/C21H23N5O4/c1-3-23-9-11-24(12-10-23)21(27)19-14-18(20-8-7-15(2)30-20)22-25(19)16-5-4-6-17(13-16)26(28)29/h4-8,13-14H,3,9-12H2,1-2H3/p+1