2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]-1-(4-oxidanylpiperidin-1-yl)ethanone

Systemtic Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]-1-(4-oxidanylpiperidin-1-yl)ethanone Openeye Name: 1-(4-hydroxy-1-piperidyl)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]ethanone CAS Name: 1-(4-hydroxy-1-piperidinyl)-2-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-5-thiophen-2-yl-1-pyrazolyl]ethanone IUPAC Name: 1-(4-hydroxypiperidin-1-yl)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]ethanone Traditional Name: 1-(4-hydroxypiperidino)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]ethanone Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CS3)CC(=O)N4CCC(CC4)O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CS3)CC(=O)N4CCC(CC4)O

InChI

InChI=1S/C20H27N5O3S/c1-22-8-10-24(11-9-22)20(28)16-13-17(18-3-2-12-29-18)25(21-16)14-19(27)23-6-4-15(26)5-7-23/h2-3,12-13,15,26H,4-11,14H2,1H3/p+1