2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]-N-[(2S)-2-oxidanylpropyl]ethanamide

Systemtic Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]-N-[(2S)-2-oxidanylpropyl]ethanamide Openeye Name: N-[(2S)-2-hydroxypropyl]-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]acetamide CAS Name: N-[(2S)-2-hydroxypropyl]-2-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-5-thiophen-2-yl-1-pyrazolyl]acetamide IUPAC Name: N-[(2S)-2-hydroxypropyl]-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide Traditional Name: N-[(2S)-2-hydroxypropyl]-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]acetamide Formula: C18H26N5O3S+ MolecularWeight: 392.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CN1C(=CC(=N1)C(=O)N2CC[NH+](CC2)C)C3=CC=CS3)O

Isomeric SMILES

C[C@@H](CNC(=O)CN1C(=CC(=N1)C(=O)N2CC[NH+](CC2)C)C3=CC=CS3)O

InChI

InChI=1S/C18H25N5O3S/c1-13(24)11-19-17(25)12-23-15(16-4-3-9-27-16)10-14(20-23)18(26)22-7-5-21(2)6-8-22/h3-4,9-10,13,24H,5-8,11-12H2,1-2H3,(H,19,25)/p+1/t13-/m0/s1