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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H24ClN4O3S+ MolecularWeight: 423.93686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C19H23ClN4O3S/c1-14-5-6-15(2)17(12-14)28(26,27)24-10-8-23(9-11-24)13-18(25)22-16-4-3-7-21-19(16)20/h3-7,12H,8-11,13H2,1-2H3,(H,22,25)/p+1