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

Systemtic Name: [2-(2-chlorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(2-chlorophenyl)-5-(2-thienyl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(2-chlorophenyl)-5-thiophen-2-yl-3-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(2-chlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(2-chlorophenyl)-5-(2-thienyl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CS4

InChI

InChI=1S/C20H21ClN4OS/c1-2-23-9-11-24(12-10-23)20(26)18-14-16(19-8-5-13-27-19)22-25(18)17-7-4-3-6-15(17)21/h3-8,13-14H,2,9-12H2,1H3/p+1