N,2,4,6-tetramethyl-N-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenesulfonamide

Systemtic Name: N,2,4,6-tetramethyl-N-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenesulfonamide Openeye Name: N,2,4,6-tetramethyl-N-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenesulfonamide CAS Name: N,2,4,6-tetramethyl-N-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N,2,4,6-tetramethyl-N-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenesulfonamide Traditional Name: N,2,4,6-tetramethyl-N-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]benzenesulfonamide Formula: C19H28N5O2S+ MolecularWeight: 390.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C19H27N5O2S/c1-15-12-16(2)18(17(3)13-15)27(25,26)22(4)14-23-8-10-24(11-9-23)19-20-6-5-7-21-19/h5-7,12-13H,8-11,14H2,1-4H3/p+1