N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C16H22N5O2S+ MolecularWeight: 348.44318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H21N5O2S/c1-11-15(12(2)19-18-11)17-14(22)10-20-5-7-21(8-6-20)16(23)13-4-3-9-24-13/h3-4,9H,5-8,10H2,1-2H3,(H,17,22)(H,18,19)/p+1