N,N,3,5-tetramethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide

Systemtic Name: N,N,3,5-tetramethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide Openeye Name: N,N,3,5-tetramethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide CAS Name: N,N,3,5-tetramethyl-1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-pyrazolesulfonamide IUPAC Name: N,N,3,5-tetramethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide Traditional Name: N,N,3,5-tetramethyl-1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]pyrazole-4-sulfonamide Formula: C16H26N7O2S+ MolecularWeight: 380.48834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=NC=CC=N3)C)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=NC=CC=N3)C)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H25N7O2S/c1-13-15(26(24,25)20(3)4)14(2)23(19-13)12-21-8-10-22(11-9-21)16-17-6-5-7-18-16/h5-7H,8-12H2,1-4H3/p+1