N,N-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]benzenesulfonamide Formula: C17H24N5O2S+ MolecularWeight: 362.46976

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H23N5O2S/c1-20(2)25(23,24)16-6-3-5-15(13-16)14-21-9-11-22(12-10-21)17-18-7-4-8-19-17/h3-8,13H,9-12,14H2,1-2H3/p+1