N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-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-(5-methylisoxazol-3-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-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-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C25H27N6O3S+ MolecularWeight: 491.58528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N6O3S/c1-18-14-22(28-34-18)26-23(32)17-29-9-11-30(12-10-29)25(33)20-16-31(15-19-6-3-2-4-7-19)27-24(20)21-8-5-13-35-21/h2-8,13-14,16H,9-12,15,17H2,1H3,(H,26,28,32)/p+1