3,4-dimethyl-5-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide

Systemtic Name: 3,4-dimethyl-5-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide Openeye Name: 3,4-dimethyl-5-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide CAS Name: 3,4-dimethyl-5-nitro-N-(4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 3,4-dimethyl-5-nitro-N-piperidin-1-ium-4-ylbenzenesulfonamide Traditional Name: 3,4-dimethyl-5-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NC2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NC2CC[NH2+]CC2

InChI

InChI=1S/C13H19N3O4S/c1-9-7-12(8-13(10(9)2)16(17)18)21(19,20)15-11-3-5-14-6-4-11/h7-8,11,14-15H,3-6H2,1-2H3/p+1