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

Systemtic Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-5-thiophen-2-yl-1-pyrazolyl]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]-N-[(1S)-1-phenylethyl]acetamide Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CN2C(=CC(=N2)C(=O)N3CC[NH+](CC3)C)C4=CC=CS4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CN2C(=CC(=N2)C(=O)N3CC[NH+](CC3)C)C4=CC=CS4

InChI

InChI=1S/C23H27N5O2S/c1-17(18-7-4-3-5-8-18)24-22(29)16-28-20(21-9-6-14-31-21)15-19(25-28)23(30)27-12-10-26(2)11-13-27/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,24,29)/p+1/t17-/m0/s1