2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C19H28N5O3S+ MolecularWeight: 406.52232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N5O3S/c1-15-19(16(2)22(3)21-15)20-18(25)13-23-9-11-24(12-10-23)28(26,27)14-17-7-5-4-6-8-17/h4-8H,9-14H2,1-3H3,(H,20,25)/p+1