N-(2,3-dimethylphenyl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C20H29N5O3S/c1-5-24-13-19(17(4)22-24)29(27,28)25-11-9-23(10-12-25)14-20(26)21-18-8-6-7-15(2)16(18)3/h6-8,13H,5,9-12,14H2,1-4H3,(H,21,26)/p+1