N-methyl-2-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-methyl-2-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-methyl-2-[4-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-23-20(28)16-25-9-11-26(12-10-25)22(29)18-15-27(14-17-6-3-2-4-7-17)24-21(18)19-8-5-13-30-19/h2-8,13,15H,9-12,14,16H2,1H3,(H,23,28)/p+1