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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(3-methylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(m-tolyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[2-(3-methylphenyl)-5-thiophen-2-yl-3-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(3-methylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(m-tolyl)-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-3-23-9-11-24(12-10-23)21(26)19-15-18(20-8-5-13-27-20)22-25(19)17-7-4-6-16(2)14-17/h4-8,13-15H,3,9-12H2,1-2H3/p+1