2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamide

Systemtic Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamide Openeye Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide CAS Name: 2-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-5-thiophen-2-yl-1-pyrazolyl]-N-[[(2R)-2-oxolanyl]methyl]acetamide IUPAC Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide Traditional Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 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)NCC4CCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CS3)CC(=O)NC[C@H]4CCCO4

InChI

InChI=1S/C20H27N5O3S/c1-23-6-8-24(9-7-23)20(27)16-12-17(18-5-3-11-29-18)25(22-16)14-19(26)21-13-15-4-2-10-28-15/h3,5,11-12,15H,2,4,6-10,13-14H2,1H3,(H,21,26)/p+1/t15-/m1/s1