N-(3-methyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(3-methyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(3-methyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-4-nitro-benzenesulfonamide CAS Name: N-(3-methyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-4-nitrobenzenesulfonamide IUPAC Name: N-(3-methyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(3-methyl-1,2,3,4-tetrahydro-s-triazin-3-ium-6-yl)-4-nitro-benzenesulfonamide Formula: C10H14N5O4S+ MolecularWeight: 300.31426

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CNC(=NC1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CNC(=NC1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H13N5O4S/c1-14-6-11-10(12-7-14)13-20(18,19)9-4-2-8(3-5-9)15(16)17/h2-5H,6-7H2,1H3,(H2,11,12,13)/p+1