1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethyl-pyrazole-4-sulfonamide

Systemtic Name: 1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethyl-pyrazole-4-sulfonamide Openeye Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethyl-pyrazole-4-sulfonamide CAS Name: 1-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-N,N,3,5-tetramethyl-4-pyrazolesulfonamide IUPAC Name: 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide Traditional Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethyl-pyrazole-4-sulfonamide Formula: C19H29ClN5O2S+ MolecularWeight: 426.98386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=C(C(=N3)C)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=C(C(=N3)C)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C19H28ClN5O2S/c1-14-6-7-17(20)12-18(14)24-10-8-23(9-11-24)13-25-16(3)19(15(2)21-25)28(26,27)22(4)5/h6-7,12H,8-11,13H2,1-5H3/p+1