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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(3-nitrophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C20H22N5O3S+ MolecularWeight: 412.48538

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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=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H21N5O3S/c1-2-22-8-10-23(11-9-22)20(26)18-14-17(19-7-4-12-29-19)21-24(18)15-5-3-6-16(13-15)25(27)28/h3-7,12-14H,2,8-11H2,1H3/p+1